USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 863 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 79 THR OG1 : rot 180:sc= 0.0371 USER MOD Set 1.2: A 82 GLN : amide:sc= 0 X(o=0.037,f=-0.43) USER MOD Set 2.1: A 62 SER OG : rot -75:sc= -0.61 USER MOD Set 2.2: A 107 HIS : no HD1:sc= -0.43 X(o=-1,f=-0.83) USER MOD Set 3.1: A 35 SER OG : rot 150:sc= 0.283 USER MOD Set 3.2: A 83 ASN : amide:sc= 0.27 K(o=0.55,f=-7.1!) USER MOD Set 4.1: A 18 THR OG1 : rot -130:sc= 1.02 USER MOD Set 4.2: A 38 HIS : no HE2:sc= 1.19 K(o=2.2,f=-6.9!) USER MOD Single : A 1 MET CE :methyl -159:sc= -0.158 (180deg=-0.797) USER MOD Single : A 1 MET N :NH3+ 179:sc= 1.13 (180deg=1.08) USER MOD Single : A 5 SER OG : rot 180:sc= -0.0024 USER MOD Single : A 6 ASN : amide:sc= -0.0248 K(o=-0.025,f=-1.1) USER MOD Single : A 7 ASN : amide:sc= -0.153 X(o=-0.15,f=-0.15) USER MOD Single : A 9 HIS :FLIP no HD1:sc= 0 F(o=-0.66,f=0) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 29 ASN : amide:sc= -0.0435 K(o=-0.044,f=-0.93) USER MOD Single : A 31 ASN : amide:sc= -0.0599 K(o=-0.06,f=-1.3!) USER MOD Single : A 32 LYS NZ :NH3+ 158:sc= -0.184 (180deg=-0.694) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 154:sc= -0.722 (180deg=-2.35!) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 SER OG : rot -72:sc= 1.3 USER MOD Single : A 47 SER OG : rot 63:sc= 1.24 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -149:sc= 2.29 (180deg=0.497) USER MOD Single : A 60 ASN :FLIP amide:sc= -0.473 F(o=-1.3,f=-0.47) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0129 USER MOD Single : A 66 SER OG : rot 180:sc= 0.0335 USER MOD Single : A 73 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0301) USER MOD Single : A 75 GLN : amide:sc= -0.402 X(o=-0.4,f=-0.89) USER MOD Single : A 76 GLN : amide:sc= -0.341 X(o=-0.34,f=-0.13) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 GLN :FLIP amide:sc= -0.309 F(o=-1.5,f=-0.31) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 0.258 K(o=0.26,f=-2.1!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 HIS : no HD1:sc= -0.0352 X(o=-0.035,f=-0.051) USER MOD Single : A 104 HIS : no HD1:sc= -0.42 X(o=-0.42,f=-0.2) USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 106 HIS : no HE2:sc= 0.967 K(o=0.97,f=-5.9!) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.970 -0.784 -3.314 1.00 0.00 N ATOM 2 CA MET A 1 -11.570 -2.193 -3.113 1.00 0.00 C ATOM 3 C MET A 1 -10.652 -2.644 -4.237 1.00 0.00 C ATOM 4 O MET A 1 -10.897 -2.361 -5.408 1.00 0.00 O ATOM 5 CB MET A 1 -12.809 -3.092 -3.055 1.00 0.00 C ATOM 6 CG MET A 1 -12.492 -4.551 -2.755 1.00 0.00 C ATOM 7 SD MET A 1 -13.964 -5.591 -2.691 1.00 0.00 S ATOM 8 CE MET A 1 -14.884 -4.800 -1.370 1.00 0.00 C ATOM 0 H1 MET A 1 -12.611 -0.492 -2.549 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.124 -0.179 -3.307 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.457 -0.688 -4.228 1.00 0.00 H new ATOM 0 HA MET A 1 -11.033 -2.271 -2.167 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.487 -2.712 -2.291 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.336 -3.032 -4.007 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.815 -4.935 -3.518 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.967 -4.615 -1.802 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.607 -5.504 -0.958 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.196 -4.486 -0.585 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.408 -3.929 -1.763 1.00 0.00 H new ATOM 20 N LEU A 2 -9.592 -3.346 -3.869 1.00 0.00 N ATOM 21 CA LEU A 2 -8.608 -3.803 -4.826 1.00 0.00 C ATOM 22 C LEU A 2 -8.959 -5.197 -5.302 1.00 0.00 C ATOM 23 O LEU A 2 -8.814 -6.178 -4.570 1.00 0.00 O ATOM 24 CB LEU A 2 -7.196 -3.808 -4.225 1.00 0.00 C ATOM 25 CG LEU A 2 -6.576 -2.434 -3.944 1.00 0.00 C ATOM 26 CD1 LEU A 2 -6.683 -1.535 -5.168 1.00 0.00 C ATOM 27 CD2 LEU A 2 -7.217 -1.775 -2.731 1.00 0.00 C ATOM 0 H LEU A 2 -9.394 -3.611 -2.904 1.00 0.00 H new ATOM 0 HA LEU A 2 -8.617 -3.110 -5.668 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -7.223 -4.369 -3.291 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -6.537 -4.349 -4.903 1.00 0.00 H new ATOM 0 HG LEU A 2 -5.520 -2.584 -3.720 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -6.237 -0.565 -4.947 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -6.156 -1.995 -6.004 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -7.732 -1.401 -5.430 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -6.755 -0.803 -2.559 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -8.284 -1.643 -2.910 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -7.071 -2.406 -1.854 1.00 0.00 H new ATOM 39 N VAL A 3 -9.456 -5.268 -6.513 1.00 0.00 N ATOM 40 CA VAL A 3 -9.759 -6.547 -7.127 1.00 0.00 C ATOM 41 C VAL A 3 -8.467 -7.221 -7.574 1.00 0.00 C ATOM 42 O VAL A 3 -7.803 -6.771 -8.508 1.00 0.00 O ATOM 43 CB VAL A 3 -10.707 -6.393 -8.337 1.00 0.00 C ATOM 44 CG1 VAL A 3 -11.016 -7.746 -8.961 1.00 0.00 C ATOM 45 CG2 VAL A 3 -11.992 -5.692 -7.920 1.00 0.00 C ATOM 0 H VAL A 3 -9.661 -4.457 -7.097 1.00 0.00 H new ATOM 0 HA VAL A 3 -10.264 -7.162 -6.382 1.00 0.00 H new ATOM 0 HB VAL A 3 -10.205 -5.781 -9.086 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -11.685 -7.611 -9.811 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -10.090 -8.211 -9.299 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -11.495 -8.387 -8.221 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -12.649 -5.592 -8.784 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -12.493 -6.279 -7.150 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -11.756 -4.703 -7.527 1.00 0.00 H new ATOM 55 N ILE A 4 -8.103 -8.289 -6.881 1.00 0.00 N ATOM 56 CA ILE A 4 -6.913 -9.051 -7.223 1.00 0.00 C ATOM 57 C ILE A 4 -7.303 -10.212 -8.120 1.00 0.00 C ATOM 58 O ILE A 4 -6.659 -10.486 -9.133 1.00 0.00 O ATOM 59 CB ILE A 4 -6.208 -9.593 -5.959 1.00 0.00 C ATOM 60 CG1 ILE A 4 -5.904 -8.450 -4.983 1.00 0.00 C ATOM 61 CG2 ILE A 4 -4.928 -10.333 -6.328 1.00 0.00 C ATOM 62 CD1 ILE A 4 -5.006 -7.371 -5.558 1.00 0.00 C ATOM 0 H ILE A 4 -8.617 -8.648 -6.076 1.00 0.00 H new ATOM 0 HA ILE A 4 -6.219 -8.389 -7.741 1.00 0.00 H new ATOM 0 HB ILE A 4 -6.880 -10.298 -5.470 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -6.843 -7.996 -4.667 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -5.433 -8.863 -4.091 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -4.449 -10.705 -5.422 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -5.168 -11.171 -6.983 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -4.250 -9.653 -6.843 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -4.838 -6.599 -4.807 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.051 -7.809 -5.848 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -5.483 -6.929 -6.433 1.00 0.00 H new ATOM 74 N SER A 5 -8.374 -10.878 -7.726 1.00 0.00 N ATOM 75 CA SER A 5 -8.939 -11.975 -8.482 1.00 0.00 C ATOM 76 C SER A 5 -10.454 -11.938 -8.316 1.00 0.00 C ATOM 77 O SER A 5 -10.971 -11.111 -7.562 1.00 0.00 O ATOM 78 CB SER A 5 -8.378 -13.312 -7.977 1.00 0.00 C ATOM 79 OG SER A 5 -6.960 -13.274 -7.877 1.00 0.00 O ATOM 0 H SER A 5 -8.878 -10.669 -6.864 1.00 0.00 H new ATOM 0 HA SER A 5 -8.678 -11.878 -9.536 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.807 -13.544 -7.002 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.675 -14.112 -8.654 1.00 0.00 H new ATOM 0 HG SER A 5 -6.632 -14.138 -7.552 1.00 0.00 H new ATOM 85 N ASN A 6 -11.167 -12.815 -9.001 1.00 0.00 N ATOM 86 CA ASN A 6 -12.618 -12.875 -8.847 1.00 0.00 C ATOM 87 C ASN A 6 -12.984 -13.391 -7.461 1.00 0.00 C ATOM 88 O ASN A 6 -14.030 -13.044 -6.906 1.00 0.00 O ATOM 89 CB ASN A 6 -13.243 -13.766 -9.925 1.00 0.00 C ATOM 90 CG ASN A 6 -13.235 -13.118 -11.297 1.00 0.00 C ATOM 91 OD1 ASN A 6 -13.311 -11.897 -11.424 1.00 0.00 O ATOM 92 ND2 ASN A 6 -13.146 -13.934 -12.336 1.00 0.00 N ATOM 0 H ASN A 6 -10.777 -13.488 -9.661 1.00 0.00 H new ATOM 0 HA ASN A 6 -13.014 -11.866 -8.962 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -12.700 -14.710 -9.970 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -14.270 -14.002 -9.645 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -13.139 -13.555 -13.283 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -13.085 -14.942 -12.189 1.00 0.00 H new ATOM 99 N ASN A 7 -12.102 -14.203 -6.895 1.00 0.00 N ATOM 100 CA ASN A 7 -12.338 -14.795 -5.586 1.00 0.00 C ATOM 101 C ASN A 7 -11.501 -14.107 -4.505 1.00 0.00 C ATOM 102 O ASN A 7 -11.614 -14.419 -3.316 1.00 0.00 O ATOM 103 CB ASN A 7 -12.035 -16.299 -5.647 1.00 0.00 C ATOM 104 CG ASN A 7 -12.417 -17.048 -4.383 1.00 0.00 C ATOM 105 OD1 ASN A 7 -13.576 -17.414 -4.190 1.00 0.00 O ATOM 106 ND2 ASN A 7 -11.436 -17.333 -3.538 1.00 0.00 N ATOM 0 H ASN A 7 -11.215 -14.467 -7.323 1.00 0.00 H new ATOM 0 HA ASN A 7 -13.385 -14.652 -5.317 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -12.568 -16.734 -6.492 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -10.970 -16.439 -5.835 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -11.630 -17.873 -2.695 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -10.487 -17.013 -3.731 1.00 0.00 H new ATOM 113 N VAL A 8 -10.696 -13.136 -4.914 1.00 0.00 N ATOM 114 CA VAL A 8 -9.798 -12.448 -3.992 1.00 0.00 C ATOM 115 C VAL A 8 -9.920 -10.934 -4.143 1.00 0.00 C ATOM 116 O VAL A 8 -9.657 -10.377 -5.212 1.00 0.00 O ATOM 117 CB VAL A 8 -8.323 -12.857 -4.215 1.00 0.00 C ATOM 118 CG1 VAL A 8 -7.407 -12.126 -3.244 1.00 0.00 C ATOM 119 CG2 VAL A 8 -8.148 -14.362 -4.074 1.00 0.00 C ATOM 0 H VAL A 8 -10.645 -12.806 -5.878 1.00 0.00 H new ATOM 0 HA VAL A 8 -10.095 -12.743 -2.986 1.00 0.00 H new ATOM 0 HB VAL A 8 -8.048 -12.573 -5.231 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -6.375 -12.429 -3.419 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.500 -11.051 -3.396 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.689 -12.374 -2.221 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.102 -14.623 -4.235 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.449 -14.671 -3.073 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.767 -14.871 -4.812 1.00 0.00 H new ATOM 129 N HIS A 9 -10.310 -10.274 -3.069 1.00 0.00 N ATOM 130 CA HIS A 9 -10.454 -8.823 -3.064 1.00 0.00 C ATOM 131 C HIS A 9 -9.784 -8.234 -1.836 1.00 0.00 C ATOM 132 O HIS A 9 -9.785 -8.847 -0.771 1.00 0.00 O ATOM 133 CB HIS A 9 -11.932 -8.419 -3.070 1.00 0.00 C ATOM 134 CG HIS A 9 -12.705 -8.952 -4.232 1.00 0.00 C ATOM 135 ND1 HIS A 9 -12.767 -8.539 -5.517 1.00 0.00 N flip ATOM 136 CD2 HIS A 9 -13.545 -10.038 -4.139 1.00 0.00 C flip ATOM 137 CE1 HIS A 9 -13.634 -9.374 -6.169 1.00 0.00 C flip ATOM 138 NE2 HIS A 9 -14.091 -10.269 -5.316 1.00 0.00 N flip ATOM 0 H HIS A 9 -10.535 -10.720 -2.180 1.00 0.00 H new ATOM 0 HA HIS A 9 -9.977 -8.437 -3.965 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -12.397 -8.767 -2.148 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -12.000 -7.331 -3.070 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -13.728 -10.611 -3.242 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -13.901 -9.310 -7.214 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -14.754 -11.014 -5.530 1.00 0.00 H new ATOM 147 N LEU A 10 -9.203 -7.053 -1.990 1.00 0.00 N ATOM 148 CA LEU A 10 -8.607 -6.346 -0.870 1.00 0.00 C ATOM 149 C LEU A 10 -9.484 -5.146 -0.521 1.00 0.00 C ATOM 150 O LEU A 10 -9.516 -4.158 -1.254 1.00 0.00 O ATOM 151 CB LEU A 10 -7.186 -5.890 -1.226 1.00 0.00 C ATOM 152 CG LEU A 10 -6.172 -5.892 -0.072 1.00 0.00 C ATOM 153 CD1 LEU A 10 -4.812 -5.422 -0.565 1.00 0.00 C ATOM 154 CD2 LEU A 10 -6.642 -5.025 1.088 1.00 0.00 C ATOM 0 H LEU A 10 -9.133 -6.565 -2.883 1.00 0.00 H new ATOM 0 HA LEU A 10 -8.542 -7.010 -0.008 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.806 -6.535 -2.019 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.241 -4.881 -1.634 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.085 -6.916 0.293 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.103 -5.428 0.263 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.459 -6.090 -1.350 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.898 -4.410 -0.961 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.900 -5.051 1.886 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.771 -3.998 0.746 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.592 -5.405 1.464 1.00 0.00 H new ATOM 166 N PRO A 11 -10.237 -5.237 0.584 1.00 0.00 N ATOM 167 CA PRO A 11 -11.174 -4.188 0.997 1.00 0.00 C ATOM 168 C PRO A 11 -10.471 -2.905 1.424 1.00 0.00 C ATOM 169 O PRO A 11 -9.381 -2.938 1.998 1.00 0.00 O ATOM 170 CB PRO A 11 -11.919 -4.808 2.188 1.00 0.00 C ATOM 171 CG PRO A 11 -11.607 -6.265 2.135 1.00 0.00 C ATOM 172 CD PRO A 11 -10.243 -6.364 1.522 1.00 0.00 C ATOM 0 HA PRO A 11 -11.827 -3.893 0.175 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -11.589 -4.369 3.130 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -12.992 -4.633 2.114 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -11.621 -6.705 3.132 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -12.345 -6.802 1.539 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -9.454 -6.275 2.269 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -10.094 -7.317 1.014 1.00 0.00 H new ATOM 180 N ASP A 12 -11.118 -1.779 1.143 1.00 0.00 N ATOM 181 CA ASP A 12 -10.618 -0.465 1.515 1.00 0.00 C ATOM 182 C ASP A 12 -10.394 -0.380 3.016 1.00 0.00 C ATOM 183 O ASP A 12 -9.423 0.210 3.489 1.00 0.00 O ATOM 184 CB ASP A 12 -11.644 0.593 1.117 1.00 0.00 C ATOM 185 CG ASP A 12 -11.905 0.644 -0.372 1.00 0.00 C ATOM 186 OD1 ASP A 12 -12.680 -0.205 -0.871 1.00 0.00 O ATOM 187 OD2 ASP A 12 -11.354 1.533 -1.055 1.00 0.00 O ATOM 0 H ASP A 12 -12.009 -1.755 0.648 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.671 -0.297 1.002 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -12.581 0.393 1.636 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -11.296 1.570 1.451 1.00 0.00 H new ATOM 192 N ALA A 13 -11.307 -0.988 3.749 1.00 0.00 N ATOM 193 CA ALA A 13 -11.310 -0.932 5.202 1.00 0.00 C ATOM 194 C ALA A 13 -10.216 -1.793 5.837 1.00 0.00 C ATOM 195 O ALA A 13 -10.107 -1.842 7.063 1.00 0.00 O ATOM 196 CB ALA A 13 -12.668 -1.356 5.723 1.00 0.00 C ATOM 0 H ALA A 13 -12.071 -1.537 3.354 1.00 0.00 H new ATOM 0 HA ALA A 13 -11.100 0.100 5.484 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -12.669 -1.314 6.812 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -13.433 -0.685 5.333 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -12.880 -2.375 5.399 1.00 0.00 H new ATOM 202 N GLU A 14 -9.421 -2.481 5.027 1.00 0.00 N ATOM 203 CA GLU A 14 -8.313 -3.268 5.555 1.00 0.00 C ATOM 204 C GLU A 14 -6.977 -2.636 5.190 1.00 0.00 C ATOM 205 O GLU A 14 -5.913 -3.226 5.382 1.00 0.00 O ATOM 206 CB GLU A 14 -8.391 -4.719 5.077 1.00 0.00 C ATOM 207 CG GLU A 14 -9.470 -5.510 5.798 1.00 0.00 C ATOM 208 CD GLU A 14 -9.485 -6.979 5.436 1.00 0.00 C ATOM 209 OE1 GLU A 14 -8.478 -7.677 5.688 1.00 0.00 O ATOM 210 OE2 GLU A 14 -10.523 -7.452 4.922 1.00 0.00 O ATOM 0 H GLU A 14 -9.520 -2.511 4.012 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.392 -3.276 6.642 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.588 -4.735 4.005 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.426 -5.202 5.231 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.325 -5.410 6.874 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.443 -5.077 5.566 1.00 0.00 H new ATOM 217 N ILE A 15 -7.050 -1.421 4.666 1.00 0.00 N ATOM 218 CA ILE A 15 -5.872 -0.606 4.439 1.00 0.00 C ATOM 219 C ILE A 15 -6.053 0.718 5.167 1.00 0.00 C ATOM 220 O ILE A 15 -7.037 1.426 4.945 1.00 0.00 O ATOM 221 CB ILE A 15 -5.628 -0.337 2.935 1.00 0.00 C ATOM 222 CG1 ILE A 15 -5.623 -1.651 2.147 1.00 0.00 C ATOM 223 CG2 ILE A 15 -4.308 0.398 2.739 1.00 0.00 C ATOM 224 CD1 ILE A 15 -5.435 -1.469 0.656 1.00 0.00 C ATOM 0 H ILE A 15 -7.925 -0.976 4.388 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.004 -1.147 4.817 1.00 0.00 H new ATOM 0 HB ILE A 15 -6.439 0.288 2.560 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.826 -2.290 2.529 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.563 -2.174 2.324 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.148 0.581 1.677 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.339 1.349 3.271 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.492 -0.210 3.129 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.442 -2.443 0.167 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -6.245 -0.857 0.259 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -4.482 -0.975 0.467 1.00 0.00 H new ATOM 236 N GLU A 16 -5.126 1.040 6.054 1.00 0.00 N ATOM 237 CA GLU A 16 -5.256 2.232 6.874 1.00 0.00 C ATOM 238 C GLU A 16 -4.892 3.483 6.085 1.00 0.00 C ATOM 239 O GLU A 16 -3.714 3.810 5.919 1.00 0.00 O ATOM 240 CB GLU A 16 -4.382 2.122 8.120 1.00 0.00 C ATOM 241 CG GLU A 16 -4.522 3.302 9.066 1.00 0.00 C ATOM 242 CD GLU A 16 -3.667 3.150 10.302 1.00 0.00 C ATOM 243 OE1 GLU A 16 -4.017 2.326 11.170 1.00 0.00 O ATOM 244 OE2 GLU A 16 -2.644 3.854 10.414 1.00 0.00 O ATOM 0 H GLU A 16 -4.280 0.496 6.224 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.298 2.315 7.182 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -4.638 1.207 8.654 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.339 2.033 7.816 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.244 4.218 8.545 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.566 3.407 9.360 1.00 0.00 H new ATOM 251 N LEU A 17 -5.911 4.159 5.577 1.00 0.00 N ATOM 252 CA LEU A 17 -5.727 5.426 4.884 1.00 0.00 C ATOM 253 C LEU A 17 -5.927 6.580 5.855 1.00 0.00 C ATOM 254 O LEU A 17 -7.035 6.825 6.328 1.00 0.00 O ATOM 255 CB LEU A 17 -6.711 5.567 3.713 1.00 0.00 C ATOM 256 CG LEU A 17 -6.297 4.894 2.396 1.00 0.00 C ATOM 257 CD1 LEU A 17 -6.211 3.384 2.552 1.00 0.00 C ATOM 258 CD2 LEU A 17 -7.277 5.250 1.286 1.00 0.00 C ATOM 0 H LEU A 17 -6.881 3.849 5.632 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.712 5.449 4.487 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.672 5.155 4.021 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.866 6.629 3.521 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.308 5.265 2.129 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.916 2.936 1.603 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.472 3.139 3.314 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.184 2.993 2.851 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.969 4.765 0.360 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.276 4.910 1.559 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.288 6.331 1.143 1.00 0.00 H new ATOM 270 N THR A 18 -4.847 7.268 6.163 1.00 0.00 N ATOM 271 CA THR A 18 -4.899 8.424 7.041 1.00 0.00 C ATOM 272 C THR A 18 -4.494 9.678 6.275 1.00 0.00 C ATOM 273 O THR A 18 -3.476 9.693 5.591 1.00 0.00 O ATOM 274 CB THR A 18 -3.984 8.235 8.265 1.00 0.00 C ATOM 275 OG1 THR A 18 -3.127 7.098 8.063 1.00 0.00 O ATOM 276 CG2 THR A 18 -4.805 8.043 9.533 1.00 0.00 C ATOM 0 H THR A 18 -3.914 7.046 5.816 1.00 0.00 H new ATOM 0 HA THR A 18 -5.923 8.534 7.398 1.00 0.00 H new ATOM 0 HB THR A 18 -3.376 9.133 8.381 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.169 6.513 8.848 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.136 7.912 10.383 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.432 8.919 9.697 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.436 7.160 9.428 1.00 0.00 H new ATOM 284 N ALA A 19 -5.298 10.718 6.375 1.00 0.00 N ATOM 285 CA ALA A 19 -5.055 11.937 5.622 1.00 0.00 C ATOM 286 C ALA A 19 -4.161 12.896 6.396 1.00 0.00 C ATOM 287 O ALA A 19 -4.534 13.379 7.469 1.00 0.00 O ATOM 288 CB ALA A 19 -6.373 12.605 5.267 1.00 0.00 C ATOM 0 H ALA A 19 -6.126 10.745 6.970 1.00 0.00 H new ATOM 0 HA ALA A 19 -4.536 11.669 4.702 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.178 13.517 4.703 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.974 11.926 4.662 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.914 12.852 6.181 1.00 0.00 H new ATOM 294 N ILE A 20 -2.985 13.163 5.851 1.00 0.00 N ATOM 295 CA ILE A 20 -2.048 14.090 6.464 1.00 0.00 C ATOM 296 C ILE A 20 -2.225 15.483 5.868 1.00 0.00 C ATOM 297 O ILE A 20 -1.999 15.697 4.675 1.00 0.00 O ATOM 298 CB ILE A 20 -0.584 13.632 6.277 1.00 0.00 C ATOM 299 CG1 ILE A 20 -0.389 12.231 6.861 1.00 0.00 C ATOM 300 CG2 ILE A 20 0.372 14.622 6.931 1.00 0.00 C ATOM 301 CD1 ILE A 20 1.019 11.696 6.705 1.00 0.00 C ATOM 0 H ILE A 20 -2.655 12.748 4.980 1.00 0.00 H new ATOM 0 HA ILE A 20 -2.262 14.114 7.533 1.00 0.00 H new ATOM 0 HB ILE A 20 -0.364 13.597 5.210 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.646 12.250 7.920 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.084 11.545 6.377 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.399 14.284 6.790 1.00 0.00 H new ATOM 0 HG22 ILE A 20 0.247 15.604 6.475 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.155 14.687 7.997 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.080 10.700 7.142 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.273 11.644 5.646 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.719 12.359 7.214 1.00 0.00 H new ATOM 313 N ARG A 21 -2.649 16.418 6.700 1.00 0.00 N ATOM 314 CA ARG A 21 -2.861 17.790 6.265 1.00 0.00 C ATOM 315 C ARG A 21 -1.629 18.636 6.568 1.00 0.00 C ATOM 316 O ARG A 21 -0.654 18.146 7.138 1.00 0.00 O ATOM 317 CB ARG A 21 -4.086 18.379 6.972 1.00 0.00 C ATOM 318 CG ARG A 21 -3.979 18.346 8.487 1.00 0.00 C ATOM 319 CD ARG A 21 -5.232 18.889 9.150 1.00 0.00 C ATOM 320 NE ARG A 21 -5.197 18.717 10.600 1.00 0.00 N ATOM 321 CZ ARG A 21 -6.244 18.924 11.403 1.00 0.00 C ATOM 322 NH1 ARG A 21 -7.398 19.362 10.904 1.00 0.00 N ATOM 323 NH2 ARG A 21 -6.131 18.719 12.711 1.00 0.00 N ATOM 0 H ARG A 21 -2.854 16.252 7.685 1.00 0.00 H new ATOM 0 HA ARG A 21 -3.034 17.794 5.189 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -4.224 19.410 6.647 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -4.974 17.827 6.665 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -3.807 17.322 8.817 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -3.116 18.932 8.804 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -5.339 19.947 8.912 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -6.107 18.381 8.745 1.00 0.00 H new ATOM 0 HE ARG A 21 -4.319 18.420 11.026 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -7.486 19.541 9.904 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -8.194 19.518 11.522 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.244 18.403 13.103 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -6.931 18.878 13.323 1.00 0.00 H new ATOM 337 N ALA A 22 -1.678 19.901 6.183 1.00 0.00 N ATOM 338 CA ALA A 22 -0.617 20.836 6.513 1.00 0.00 C ATOM 339 C ALA A 22 -0.815 21.332 7.936 1.00 0.00 C ATOM 340 O ALA A 22 -1.948 21.560 8.362 1.00 0.00 O ATOM 341 CB ALA A 22 -0.599 21.996 5.525 1.00 0.00 C ATOM 0 H ALA A 22 -2.443 20.303 5.641 1.00 0.00 H new ATOM 0 HA ALA A 22 0.347 20.332 6.444 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.203 22.686 5.789 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.432 21.614 4.518 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.555 22.519 5.561 1.00 0.00 H new ATOM 347 N GLN A 23 0.268 21.476 8.677 1.00 0.00 N ATOM 348 CA GLN A 23 0.172 21.876 10.067 1.00 0.00 C ATOM 349 C GLN A 23 0.160 23.387 10.200 1.00 0.00 C ATOM 350 O GLN A 23 0.988 24.090 9.617 1.00 0.00 O ATOM 351 CB GLN A 23 1.310 21.278 10.886 1.00 0.00 C ATOM 352 CG GLN A 23 1.289 21.689 12.345 1.00 0.00 C ATOM 353 CD GLN A 23 2.340 20.981 13.174 1.00 0.00 C ATOM 354 OE1 GLN A 23 3.402 20.608 12.677 1.00 0.00 O ATOM 355 NE2 GLN A 23 2.055 20.809 14.451 1.00 0.00 N ATOM 0 H GLN A 23 1.219 21.323 8.341 1.00 0.00 H new ATOM 0 HA GLN A 23 -0.770 21.492 10.458 1.00 0.00 H new ATOM 0 HB2 GLN A 23 1.260 20.191 10.823 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.261 21.579 10.446 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.443 22.766 12.416 1.00 0.00 H new ATOM 0 HG3 GLN A 23 0.304 21.480 12.762 1.00 0.00 H new ATOM 0 HE21 GLN A 23 1.162 21.134 14.823 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.727 20.352 15.067 1.00 0.00 H new ATOM 364 N GLY A 24 -0.778 23.870 10.991 1.00 0.00 N ATOM 365 CA GLY A 24 -0.928 25.294 11.198 1.00 0.00 C ATOM 366 C GLY A 24 -0.075 25.782 12.343 1.00 0.00 C ATOM 367 O GLY A 24 -0.587 26.281 13.348 1.00 0.00 O ATOM 0 H GLY A 24 -1.448 23.295 11.501 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.654 25.826 10.287 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.974 25.525 11.399 1.00 0.00 H new ATOM 371 N ALA A 25 1.227 25.616 12.201 1.00 0.00 N ATOM 372 CA ALA A 25 2.175 26.052 13.212 1.00 0.00 C ATOM 373 C ALA A 25 3.350 26.764 12.559 1.00 0.00 C ATOM 374 O ALA A 25 4.231 26.126 11.980 1.00 0.00 O ATOM 375 CB ALA A 25 2.657 24.871 14.044 1.00 0.00 C ATOM 0 H ALA A 25 1.657 25.178 11.386 1.00 0.00 H new ATOM 0 HA ALA A 25 1.672 26.752 13.879 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.366 25.220 14.795 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.806 24.403 14.538 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.145 24.144 13.395 1.00 0.00 H new ATOM 381 N GLY A 26 3.350 28.084 12.641 1.00 0.00 N ATOM 382 CA GLY A 26 4.376 28.872 11.988 1.00 0.00 C ATOM 383 C GLY A 26 3.939 29.353 10.620 1.00 0.00 C ATOM 384 O GLY A 26 3.503 28.559 9.785 1.00 0.00 O ATOM 0 H GLY A 26 2.654 28.628 13.151 1.00 0.00 H new ATOM 0 HA2 GLY A 26 4.625 29.731 12.611 1.00 0.00 H new ATOM 0 HA3 GLY A 26 5.283 28.276 11.890 1.00 0.00 H new ATOM 388 N GLY A 27 4.020 30.659 10.397 1.00 0.00 N ATOM 389 CA GLY A 27 3.650 31.224 9.114 1.00 0.00 C ATOM 390 C GLY A 27 2.154 31.430 8.985 1.00 0.00 C ATOM 391 O GLY A 27 1.700 32.520 8.637 1.00 0.00 O ATOM 0 H GLY A 27 4.337 31.340 11.087 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.159 32.179 8.980 1.00 0.00 H new ATOM 0 HA3 GLY A 27 3.994 30.565 8.317 1.00 0.00 H new ATOM 395 N GLN A 28 1.398 30.360 9.241 1.00 0.00 N ATOM 396 CA GLN A 28 -0.065 30.389 9.248 1.00 0.00 C ATOM 397 C GLN A 28 -0.618 30.703 7.854 1.00 0.00 C ATOM 398 O GLN A 28 -1.794 31.021 7.688 1.00 0.00 O ATOM 399 CB GLN A 28 -0.553 31.406 10.284 1.00 0.00 C ATOM 400 CG GLN A 28 -2.026 31.282 10.644 1.00 0.00 C ATOM 401 CD GLN A 28 -2.448 32.263 11.722 1.00 0.00 C ATOM 402 OE1 GLN A 28 -1.914 33.369 11.822 1.00 0.00 O ATOM 403 NE2 GLN A 28 -3.407 31.864 12.541 1.00 0.00 N ATOM 0 H GLN A 28 1.788 29.441 9.451 1.00 0.00 H new ATOM 0 HA GLN A 28 -0.437 29.403 9.525 1.00 0.00 H new ATOM 0 HB2 GLN A 28 0.040 31.295 11.191 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -0.368 32.411 9.904 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -2.629 31.447 9.751 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -2.229 30.266 10.983 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -3.825 30.941 12.426 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -3.729 32.480 13.288 1.00 0.00 H new ATOM 412 N ASN A 29 0.238 30.579 6.854 1.00 0.00 N ATOM 413 CA ASN A 29 -0.162 30.836 5.477 1.00 0.00 C ATOM 414 C ASN A 29 -0.355 29.523 4.726 1.00 0.00 C ATOM 415 O ASN A 29 -0.856 29.496 3.602 1.00 0.00 O ATOM 416 CB ASN A 29 0.875 31.710 4.769 1.00 0.00 C ATOM 417 CG ASN A 29 0.389 32.222 3.426 1.00 0.00 C ATOM 418 OD1 ASN A 29 -0.808 32.453 3.230 1.00 0.00 O ATOM 419 ND2 ASN A 29 1.306 32.395 2.489 1.00 0.00 N ATOM 0 H ASN A 29 1.213 30.303 6.967 1.00 0.00 H new ATOM 0 HA ASN A 29 -1.111 31.372 5.489 1.00 0.00 H new ATOM 0 HB2 ASN A 29 1.127 32.557 5.407 1.00 0.00 H new ATOM 0 HB3 ASN A 29 1.791 31.136 4.625 1.00 0.00 H new ATOM 0 HD21 ASN A 29 1.034 32.731 1.565 1.00 0.00 H new ATOM 0 HD22 ASN A 29 2.285 32.193 2.690 1.00 0.00 H new ATOM 426 N VAL A 30 0.023 28.429 5.367 1.00 0.00 N ATOM 427 CA VAL A 30 -0.097 27.113 4.756 1.00 0.00 C ATOM 428 C VAL A 30 -1.489 26.531 4.974 1.00 0.00 C ATOM 429 O VAL A 30 -1.662 25.510 5.634 1.00 0.00 O ATOM 430 CB VAL A 30 0.971 26.132 5.282 1.00 0.00 C ATOM 431 CG1 VAL A 30 2.330 26.450 4.681 1.00 0.00 C ATOM 432 CG2 VAL A 30 1.042 26.171 6.804 1.00 0.00 C ATOM 0 H VAL A 30 0.415 28.425 6.309 1.00 0.00 H new ATOM 0 HA VAL A 30 0.067 27.248 3.687 1.00 0.00 H new ATOM 0 HB VAL A 30 0.684 25.125 4.979 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.070 25.748 5.064 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.277 26.365 3.596 1.00 0.00 H new ATOM 0 HG13 VAL A 30 2.619 27.465 4.952 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.802 25.471 7.151 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.300 27.178 7.130 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.074 25.892 7.221 1.00 0.00 H new ATOM 442 N ASN A 31 -2.480 27.191 4.400 1.00 0.00 N ATOM 443 CA ASN A 31 -3.866 26.762 4.540 1.00 0.00 C ATOM 444 C ASN A 31 -4.330 26.014 3.304 1.00 0.00 C ATOM 445 O ASN A 31 -5.526 25.827 3.082 1.00 0.00 O ATOM 446 CB ASN A 31 -4.788 27.956 4.819 1.00 0.00 C ATOM 447 CG ASN A 31 -4.694 28.440 6.257 1.00 0.00 C ATOM 448 OD1 ASN A 31 -4.421 27.666 7.174 1.00 0.00 O ATOM 449 ND2 ASN A 31 -4.936 29.724 6.470 1.00 0.00 N ATOM 0 H ASN A 31 -2.353 28.028 3.831 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.918 26.084 5.392 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -4.531 28.774 4.146 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -5.818 27.675 4.600 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -4.899 30.100 7.418 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -5.159 30.338 5.686 1.00 0.00 H new ATOM 456 N LYS A 32 -3.372 25.583 2.502 1.00 0.00 N ATOM 457 CA LYS A 32 -3.668 24.714 1.376 1.00 0.00 C ATOM 458 C LYS A 32 -3.427 23.274 1.796 1.00 0.00 C ATOM 459 O LYS A 32 -2.292 22.869 2.058 1.00 0.00 O ATOM 460 CB LYS A 32 -2.856 25.074 0.115 1.00 0.00 C ATOM 461 CG LYS A 32 -1.351 25.201 0.308 1.00 0.00 C ATOM 462 CD LYS A 32 -0.958 26.586 0.800 1.00 0.00 C ATOM 463 CE LYS A 32 0.545 26.809 0.707 1.00 0.00 C ATOM 464 NZ LYS A 32 1.052 26.638 -0.686 1.00 0.00 N ATOM 0 H LYS A 32 -2.386 25.819 2.609 1.00 0.00 H new ATOM 0 HA LYS A 32 -4.714 24.851 1.101 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -3.043 24.314 -0.643 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -3.233 26.017 -0.280 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.012 24.452 1.023 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.845 24.993 -0.635 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -1.476 27.343 0.210 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -1.282 26.711 1.833 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.785 27.812 1.059 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.057 26.109 1.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.956 27.141 -0.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.194 25.627 -0.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.360 27.027 -1.358 1.00 0.00 H new ATOM 478 N VAL A 33 -4.512 22.519 1.886 1.00 0.00 N ATOM 479 CA VAL A 33 -4.468 21.180 2.451 1.00 0.00 C ATOM 480 C VAL A 33 -3.617 20.240 1.595 1.00 0.00 C ATOM 481 O VAL A 33 -3.815 20.121 0.381 1.00 0.00 O ATOM 482 CB VAL A 33 -5.890 20.602 2.657 1.00 0.00 C ATOM 483 CG1 VAL A 33 -6.640 20.463 1.337 1.00 0.00 C ATOM 484 CG2 VAL A 33 -5.826 19.270 3.389 1.00 0.00 C ATOM 0 H VAL A 33 -5.437 22.813 1.573 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.997 21.260 3.431 1.00 0.00 H new ATOM 0 HB VAL A 33 -6.447 21.308 3.273 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.633 20.054 1.524 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.733 21.442 0.867 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.091 19.793 0.675 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.835 18.880 3.524 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.239 18.562 2.805 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.359 19.412 4.363 1.00 0.00 H new ATOM 494 N SER A 34 -2.644 19.609 2.234 1.00 0.00 N ATOM 495 CA SER A 34 -1.761 18.682 1.569 1.00 0.00 C ATOM 496 C SER A 34 -2.509 17.417 1.155 1.00 0.00 C ATOM 497 O SER A 34 -3.465 16.994 1.813 1.00 0.00 O ATOM 498 CB SER A 34 -0.607 18.352 2.510 1.00 0.00 C ATOM 499 OG SER A 34 0.006 19.542 2.982 1.00 0.00 O ATOM 0 H SER A 34 -2.450 19.730 3.228 1.00 0.00 H new ATOM 0 HA SER A 34 -1.371 19.136 0.658 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.974 17.766 3.353 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.129 17.738 1.991 1.00 0.00 H new ATOM 0 HG SER A 34 0.743 19.313 3.586 1.00 0.00 H new ATOM 505 N SER A 35 -2.069 16.825 0.058 1.00 0.00 N ATOM 506 CA SER A 35 -2.699 15.637 -0.488 1.00 0.00 C ATOM 507 C SER A 35 -2.009 14.373 0.012 1.00 0.00 C ATOM 508 O SER A 35 -2.251 13.277 -0.497 1.00 0.00 O ATOM 509 CB SER A 35 -2.637 15.711 -2.010 1.00 0.00 C ATOM 510 OG SER A 35 -1.335 16.071 -2.442 1.00 0.00 O ATOM 0 H SER A 35 -1.266 17.154 -0.478 1.00 0.00 H new ATOM 0 HA SER A 35 -3.737 15.595 -0.159 1.00 0.00 H new ATOM 0 HB2 SER A 35 -2.914 14.747 -2.437 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.361 16.441 -2.373 1.00 0.00 H new ATOM 0 HG SER A 35 -1.160 15.673 -3.320 1.00 0.00 H new ATOM 516 N ALA A 36 -1.171 14.536 1.027 1.00 0.00 N ATOM 517 CA ALA A 36 -0.373 13.444 1.555 1.00 0.00 C ATOM 518 C ALA A 36 -1.237 12.443 2.304 1.00 0.00 C ATOM 519 O ALA A 36 -1.761 12.734 3.377 1.00 0.00 O ATOM 520 CB ALA A 36 0.724 13.984 2.459 1.00 0.00 C ATOM 0 H ALA A 36 -1.027 15.426 1.504 1.00 0.00 H new ATOM 0 HA ALA A 36 0.087 12.923 0.715 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.315 13.155 2.849 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.369 14.653 1.889 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.276 14.531 3.288 1.00 0.00 H new ATOM 526 N MET A 37 -1.414 11.274 1.718 1.00 0.00 N ATOM 527 CA MET A 37 -2.133 10.203 2.384 1.00 0.00 C ATOM 528 C MET A 37 -1.158 9.212 2.982 1.00 0.00 C ATOM 529 O MET A 37 -0.247 8.739 2.315 1.00 0.00 O ATOM 530 CB MET A 37 -3.057 9.464 1.423 1.00 0.00 C ATOM 531 CG MET A 37 -3.967 10.366 0.620 1.00 0.00 C ATOM 532 SD MET A 37 -5.222 9.451 -0.293 1.00 0.00 S ATOM 533 CE MET A 37 -6.179 8.752 1.052 1.00 0.00 C ATOM 0 H MET A 37 -1.072 11.042 0.786 1.00 0.00 H new ATOM 0 HA MET A 37 -2.737 10.658 3.169 1.00 0.00 H new ATOM 0 HB2 MET A 37 -2.451 8.874 0.736 1.00 0.00 H new ATOM 0 HB3 MET A 37 -3.668 8.763 1.991 1.00 0.00 H new ATOM 0 HG2 MET A 37 -4.455 11.073 1.291 1.00 0.00 H new ATOM 0 HG3 MET A 37 -3.368 10.950 -0.079 1.00 0.00 H new ATOM 0 HE1 MET A 37 -7.199 8.566 0.715 1.00 0.00 H new ATOM 0 HE2 MET A 37 -5.726 7.814 1.372 1.00 0.00 H new ATOM 0 HE3 MET A 37 -6.195 9.451 1.888 1.00 0.00 H new ATOM 543 N HIS A 38 -1.369 8.905 4.232 1.00 0.00 N ATOM 544 CA HIS A 38 -0.561 7.932 4.938 1.00 0.00 C ATOM 545 C HIS A 38 -1.255 6.590 4.893 1.00 0.00 C ATOM 546 O HIS A 38 -2.397 6.452 5.329 1.00 0.00 O ATOM 547 CB HIS A 38 -0.336 8.375 6.384 1.00 0.00 C ATOM 548 CG HIS A 38 0.304 7.348 7.270 1.00 0.00 C ATOM 549 ND1 HIS A 38 -0.404 6.646 8.220 1.00 0.00 N ATOM 550 CD2 HIS A 38 1.588 6.927 7.373 1.00 0.00 C ATOM 551 CE1 HIS A 38 0.413 5.840 8.868 1.00 0.00 C ATOM 552 NE2 HIS A 38 1.627 5.988 8.377 1.00 0.00 N ATOM 0 H HIS A 38 -2.108 9.321 4.798 1.00 0.00 H new ATOM 0 HA HIS A 38 0.414 7.849 4.458 1.00 0.00 H new ATOM 0 HB2 HIS A 38 0.287 9.269 6.381 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -1.297 8.657 6.815 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -1.405 6.736 8.395 1.00 0.00 H new ATOM 0 HD2 HIS A 38 2.424 7.265 6.778 1.00 0.00 H new ATOM 0 HE1 HIS A 38 0.134 5.170 9.668 1.00 0.00 H new ATOM 561 N LEU A 39 -0.567 5.616 4.355 1.00 0.00 N ATOM 562 CA LEU A 39 -1.121 4.289 4.196 1.00 0.00 C ATOM 563 C LEU A 39 -0.360 3.287 5.037 1.00 0.00 C ATOM 564 O LEU A 39 0.842 3.099 4.860 1.00 0.00 O ATOM 565 CB LEU A 39 -1.094 3.848 2.730 1.00 0.00 C ATOM 566 CG LEU A 39 -2.218 4.394 1.839 1.00 0.00 C ATOM 567 CD1 LEU A 39 -1.991 5.861 1.505 1.00 0.00 C ATOM 568 CD2 LEU A 39 -2.340 3.566 0.568 1.00 0.00 C ATOM 0 H LEU A 39 0.389 5.716 4.015 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.158 4.327 4.531 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.139 4.148 2.299 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.130 2.759 2.699 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.154 4.319 2.393 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.803 6.220 0.873 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.963 6.444 2.426 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.044 5.972 0.977 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.142 3.967 -0.052 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.401 3.605 0.017 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.565 2.532 0.828 1.00 0.00 H new ATOM 580 N ARG A 40 -1.063 2.667 5.965 1.00 0.00 N ATOM 581 CA ARG A 40 -0.503 1.578 6.737 1.00 0.00 C ATOM 582 C ARG A 40 -1.185 0.281 6.342 1.00 0.00 C ATOM 583 O ARG A 40 -2.385 0.103 6.566 1.00 0.00 O ATOM 584 CB ARG A 40 -0.658 1.826 8.236 1.00 0.00 C ATOM 585 CG ARG A 40 -0.284 0.617 9.079 1.00 0.00 C ATOM 586 CD ARG A 40 -0.595 0.828 10.549 1.00 0.00 C ATOM 587 NE ARG A 40 -0.612 -0.441 11.268 1.00 0.00 N ATOM 588 CZ ARG A 40 -0.594 -0.562 12.590 1.00 0.00 C ATOM 589 NH1 ARG A 40 -0.554 0.516 13.366 1.00 0.00 N ATOM 590 NH2 ARG A 40 -0.634 -1.772 13.130 1.00 0.00 N ATOM 0 H ARG A 40 -2.027 2.901 6.202 1.00 0.00 H new ATOM 0 HA ARG A 40 0.564 1.510 6.523 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.034 2.671 8.525 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.690 2.105 8.448 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -0.824 -0.258 8.717 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.779 0.408 8.960 1.00 0.00 H new ATOM 0 HD2 ARG A 40 0.150 1.490 10.990 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.561 1.322 10.653 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.640 -1.298 10.715 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.537 1.446 12.947 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.540 0.414 14.381 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.678 -2.597 12.531 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -0.621 -1.878 14.144 1.00 0.00 H new ATOM 604 N PHE A 41 -0.430 -0.606 5.729 1.00 0.00 N ATOM 605 CA PHE A 41 -0.958 -1.879 5.293 1.00 0.00 C ATOM 606 C PHE A 41 -0.381 -3.004 6.139 1.00 0.00 C ATOM 607 O PHE A 41 0.795 -3.360 6.010 1.00 0.00 O ATOM 608 CB PHE A 41 -0.656 -2.105 3.810 1.00 0.00 C ATOM 609 CG PHE A 41 -1.253 -3.370 3.261 1.00 0.00 C ATOM 610 CD1 PHE A 41 -2.627 -3.529 3.204 1.00 0.00 C ATOM 611 CD2 PHE A 41 -0.441 -4.399 2.810 1.00 0.00 C ATOM 612 CE1 PHE A 41 -3.182 -4.691 2.709 1.00 0.00 C ATOM 613 CE2 PHE A 41 -0.991 -5.565 2.315 1.00 0.00 C ATOM 614 CZ PHE A 41 -2.364 -5.708 2.265 1.00 0.00 C ATOM 0 H PHE A 41 0.559 -0.466 5.521 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.040 -1.871 5.421 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.032 -1.257 3.238 1.00 0.00 H new ATOM 0 HB3 PHE A 41 0.424 -2.131 3.668 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.271 -2.735 3.551 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.633 -4.288 2.846 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -4.255 -4.804 2.669 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.350 -6.362 1.968 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.797 -6.618 1.877 1.00 0.00 H new ATOM 624 N ASP A 42 -1.203 -3.537 7.024 1.00 0.00 N ATOM 625 CA ASP A 42 -0.790 -4.639 7.875 1.00 0.00 C ATOM 626 C ASP A 42 -0.961 -5.959 7.141 1.00 0.00 C ATOM 627 O ASP A 42 -2.041 -6.549 7.143 1.00 0.00 O ATOM 628 CB ASP A 42 -1.591 -4.666 9.185 1.00 0.00 C ATOM 629 CG ASP A 42 -1.303 -3.478 10.083 1.00 0.00 C ATOM 630 OD1 ASP A 42 -1.661 -2.345 9.711 1.00 0.00 O ATOM 631 OD2 ASP A 42 -0.755 -3.674 11.191 1.00 0.00 O ATOM 0 H ASP A 42 -2.162 -3.224 7.173 1.00 0.00 H new ATOM 0 HA ASP A 42 0.262 -4.493 8.122 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.656 -4.688 8.953 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -1.363 -5.585 9.724 1.00 0.00 H new ATOM 636 N ILE A 43 0.108 -6.402 6.492 1.00 0.00 N ATOM 637 CA ILE A 43 0.111 -7.681 5.800 1.00 0.00 C ATOM 638 C ILE A 43 -0.196 -8.799 6.780 1.00 0.00 C ATOM 639 O ILE A 43 -0.918 -9.742 6.462 1.00 0.00 O ATOM 640 CB ILE A 43 1.472 -7.962 5.122 1.00 0.00 C ATOM 641 CG1 ILE A 43 1.847 -6.819 4.177 1.00 0.00 C ATOM 642 CG2 ILE A 43 1.427 -9.287 4.373 1.00 0.00 C ATOM 643 CD1 ILE A 43 3.199 -7.002 3.520 1.00 0.00 C ATOM 0 H ILE A 43 0.988 -5.890 6.431 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.655 -7.637 5.026 1.00 0.00 H new ATOM 0 HB ILE A 43 2.237 -8.030 5.895 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.084 -6.732 3.403 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.845 -5.882 4.734 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.392 -9.471 3.901 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.206 -10.093 5.073 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.651 -9.247 3.609 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.402 -6.156 2.863 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.971 -7.059 4.287 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.198 -7.922 2.936 1.00 0.00 H new ATOM 655 N ASN A 44 0.333 -8.661 7.986 1.00 0.00 N ATOM 656 CA ASN A 44 0.143 -9.653 9.035 1.00 0.00 C ATOM 657 C ASN A 44 -1.341 -9.843 9.344 1.00 0.00 C ATOM 658 O ASN A 44 -1.842 -10.967 9.373 1.00 0.00 O ATOM 659 CB ASN A 44 0.878 -9.219 10.301 1.00 0.00 C ATOM 660 CG ASN A 44 1.078 -10.367 11.267 1.00 0.00 C ATOM 661 OD1 ASN A 44 0.224 -10.641 12.112 1.00 0.00 O ATOM 662 ND2 ASN A 44 2.217 -11.033 11.160 1.00 0.00 N ATOM 0 H ASN A 44 0.903 -7.863 8.265 1.00 0.00 H new ATOM 0 HA ASN A 44 0.549 -10.602 8.684 1.00 0.00 H new ATOM 0 HB2 ASN A 44 1.847 -8.800 10.031 1.00 0.00 H new ATOM 0 HB3 ASN A 44 0.314 -8.426 10.793 1.00 0.00 H new ATOM 0 HD21 ASN A 44 2.416 -11.808 11.793 1.00 0.00 H new ATOM 0 HD22 ASN A 44 2.896 -10.771 10.445 1.00 0.00 H new ATOM 669 N ALA A 45 -2.041 -8.738 9.536 1.00 0.00 N ATOM 670 CA ALA A 45 -3.441 -8.777 9.943 1.00 0.00 C ATOM 671 C ALA A 45 -4.391 -8.637 8.751 1.00 0.00 C ATOM 672 O ALA A 45 -5.568 -8.317 8.922 1.00 0.00 O ATOM 673 CB ALA A 45 -3.717 -7.682 10.965 1.00 0.00 C ATOM 0 H ALA A 45 -1.664 -7.798 9.417 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.625 -9.752 10.394 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -4.765 -7.718 11.263 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.085 -7.833 11.840 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -3.499 -6.709 10.524 1.00 0.00 H new ATOM 679 N SER A 46 -3.891 -8.884 7.551 1.00 0.00 N ATOM 680 CA SER A 46 -4.712 -8.774 6.353 1.00 0.00 C ATOM 681 C SER A 46 -5.439 -10.090 6.075 1.00 0.00 C ATOM 682 O SER A 46 -5.016 -11.155 6.533 1.00 0.00 O ATOM 683 CB SER A 46 -3.846 -8.396 5.148 1.00 0.00 C ATOM 684 OG SER A 46 -2.941 -9.436 4.819 1.00 0.00 O ATOM 0 H SER A 46 -2.924 -9.161 7.379 1.00 0.00 H new ATOM 0 HA SER A 46 -5.453 -7.992 6.519 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.485 -8.182 4.291 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.291 -7.484 5.368 1.00 0.00 H new ATOM 0 HG SER A 46 -2.233 -9.480 5.495 1.00 0.00 H new ATOM 690 N SER A 47 -6.527 -10.015 5.320 1.00 0.00 N ATOM 691 CA SER A 47 -7.278 -11.205 4.939 1.00 0.00 C ATOM 692 C SER A 47 -6.712 -11.833 3.665 1.00 0.00 C ATOM 693 O SER A 47 -7.351 -12.683 3.048 1.00 0.00 O ATOM 694 CB SER A 47 -8.746 -10.848 4.729 1.00 0.00 C ATOM 695 OG SER A 47 -9.276 -10.191 5.867 1.00 0.00 O ATOM 0 H SER A 47 -6.910 -9.141 4.959 1.00 0.00 H new ATOM 0 HA SER A 47 -7.190 -11.932 5.746 1.00 0.00 H new ATOM 0 HB2 SER A 47 -8.846 -10.206 3.854 1.00 0.00 H new ATOM 0 HB3 SER A 47 -9.319 -11.753 4.527 1.00 0.00 H new ATOM 0 HG SER A 47 -8.803 -9.344 6.006 1.00 0.00 H new ATOM 701 N LEU A 48 -5.510 -11.412 3.277 1.00 0.00 N ATOM 702 CA LEU A 48 -4.857 -11.955 2.095 1.00 0.00 C ATOM 703 C LEU A 48 -4.535 -13.430 2.298 1.00 0.00 C ATOM 704 O LEU A 48 -4.086 -13.827 3.375 1.00 0.00 O ATOM 705 CB LEU A 48 -3.580 -11.173 1.779 1.00 0.00 C ATOM 706 CG LEU A 48 -3.789 -9.711 1.375 1.00 0.00 C ATOM 707 CD1 LEU A 48 -2.453 -9.059 1.067 1.00 0.00 C ATOM 708 CD2 LEU A 48 -4.720 -9.616 0.174 1.00 0.00 C ATOM 0 H LEU A 48 -4.971 -10.697 3.766 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.539 -11.859 1.251 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -2.931 -11.201 2.654 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.052 -11.683 0.974 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.252 -9.181 2.207 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.613 -8.019 0.781 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.817 -9.098 1.951 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.969 -9.591 0.248 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.857 -8.570 -0.099 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.285 -10.156 -0.667 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.686 -10.054 0.427 1.00 0.00 H new ATOM 720 N PRO A 49 -4.783 -14.255 1.269 1.00 0.00 N ATOM 721 CA PRO A 49 -4.536 -15.705 1.311 1.00 0.00 C ATOM 722 C PRO A 49 -3.126 -16.070 1.792 1.00 0.00 C ATOM 723 O PRO A 49 -2.169 -15.319 1.574 1.00 0.00 O ATOM 724 CB PRO A 49 -4.726 -16.129 -0.146 1.00 0.00 C ATOM 725 CG PRO A 49 -5.684 -15.135 -0.700 1.00 0.00 C ATOM 726 CD PRO A 49 -5.359 -13.834 -0.023 1.00 0.00 C ATOM 0 HA PRO A 49 -5.200 -16.203 2.018 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.781 -16.116 -0.690 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.120 -17.143 -0.216 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -5.578 -15.050 -1.782 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -6.714 -15.432 -0.503 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -4.651 -13.244 -0.605 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -6.249 -13.220 0.115 1.00 0.00 H new ATOM 734 N PRO A 50 -2.994 -17.239 2.454 1.00 0.00 N ATOM 735 CA PRO A 50 -1.722 -17.721 3.016 1.00 0.00 C ATOM 736 C PRO A 50 -0.565 -17.678 2.021 1.00 0.00 C ATOM 737 O PRO A 50 0.565 -17.376 2.400 1.00 0.00 O ATOM 738 CB PRO A 50 -2.017 -19.172 3.427 1.00 0.00 C ATOM 739 CG PRO A 50 -3.355 -19.495 2.850 1.00 0.00 C ATOM 740 CD PRO A 50 -4.082 -18.188 2.720 1.00 0.00 C ATOM 0 HA PRO A 50 -1.400 -17.087 3.842 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -1.253 -19.849 3.045 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -2.023 -19.277 4.512 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -3.253 -19.982 1.880 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -3.902 -20.182 3.496 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -4.809 -18.208 1.908 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -4.627 -17.935 3.630 1.00 0.00 H new ATOM 748 N PHE A 51 -0.849 -17.971 0.752 1.00 0.00 N ATOM 749 CA PHE A 51 0.169 -17.933 -0.297 1.00 0.00 C ATOM 750 C PHE A 51 0.882 -16.584 -0.306 1.00 0.00 C ATOM 751 O PHE A 51 2.113 -16.512 -0.344 1.00 0.00 O ATOM 752 CB PHE A 51 -0.472 -18.187 -1.662 1.00 0.00 C ATOM 753 CG PHE A 51 0.505 -18.176 -2.806 1.00 0.00 C ATOM 754 CD1 PHE A 51 1.302 -19.280 -3.063 1.00 0.00 C ATOM 755 CD2 PHE A 51 0.619 -17.064 -3.627 1.00 0.00 C ATOM 756 CE1 PHE A 51 2.198 -19.273 -4.115 1.00 0.00 C ATOM 757 CE2 PHE A 51 1.514 -17.052 -4.679 1.00 0.00 C ATOM 758 CZ PHE A 51 2.302 -18.160 -4.925 1.00 0.00 C ATOM 0 H PHE A 51 -1.778 -18.238 0.425 1.00 0.00 H new ATOM 0 HA PHE A 51 0.901 -18.714 -0.092 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.980 -19.151 -1.640 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.235 -17.429 -1.841 1.00 0.00 H new ATOM 0 HD1 PHE A 51 1.222 -20.155 -2.435 1.00 0.00 H new ATOM 0 HD2 PHE A 51 0.001 -16.198 -3.442 1.00 0.00 H new ATOM 0 HE1 PHE A 51 2.817 -20.138 -4.303 1.00 0.00 H new ATOM 0 HE2 PHE A 51 1.598 -16.178 -5.308 1.00 0.00 H new ATOM 0 HZ PHE A 51 2.999 -18.155 -5.750 1.00 0.00 H new ATOM 768 N TYR A 52 0.093 -15.523 -0.256 1.00 0.00 N ATOM 769 CA TYR A 52 0.616 -14.179 -0.275 1.00 0.00 C ATOM 770 C TYR A 52 1.295 -13.846 1.046 1.00 0.00 C ATOM 771 O TYR A 52 2.323 -13.172 1.062 1.00 0.00 O ATOM 772 CB TYR A 52 -0.508 -13.194 -0.572 1.00 0.00 C ATOM 773 CG TYR A 52 -1.127 -13.393 -1.937 1.00 0.00 C ATOM 774 CD1 TYR A 52 -0.509 -12.899 -3.079 1.00 0.00 C ATOM 775 CD2 TYR A 52 -2.324 -14.083 -2.084 1.00 0.00 C ATOM 776 CE1 TYR A 52 -1.065 -13.088 -4.330 1.00 0.00 C ATOM 777 CE2 TYR A 52 -2.885 -14.279 -3.332 1.00 0.00 C ATOM 778 CZ TYR A 52 -2.254 -13.777 -4.453 1.00 0.00 C ATOM 779 OH TYR A 52 -2.810 -13.970 -5.698 1.00 0.00 O ATOM 0 H TYR A 52 -0.924 -15.575 -0.201 1.00 0.00 H new ATOM 0 HA TYR A 52 1.366 -14.103 -1.062 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.282 -13.295 0.189 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.121 -12.178 -0.500 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.421 -12.358 -2.988 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.824 -14.472 -1.209 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -0.571 -12.698 -5.208 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -3.813 -14.823 -3.430 1.00 0.00 H new ATOM 0 HH TYR A 52 -3.645 -14.475 -5.609 1.00 0.00 H new ATOM 789 N LYS A 53 0.719 -14.328 2.149 1.00 0.00 N ATOM 790 CA LYS A 53 1.333 -14.160 3.463 1.00 0.00 C ATOM 791 C LYS A 53 2.768 -14.671 3.453 1.00 0.00 C ATOM 792 O LYS A 53 3.702 -13.943 3.778 1.00 0.00 O ATOM 793 CB LYS A 53 0.547 -14.918 4.540 1.00 0.00 C ATOM 794 CG LYS A 53 -0.881 -14.437 4.744 1.00 0.00 C ATOM 795 CD LYS A 53 -0.933 -12.950 5.038 1.00 0.00 C ATOM 796 CE LYS A 53 -1.968 -12.620 6.101 1.00 0.00 C ATOM 797 NZ LYS A 53 -3.287 -13.248 5.832 1.00 0.00 N ATOM 0 H LYS A 53 -0.166 -14.834 2.157 1.00 0.00 H new ATOM 0 HA LYS A 53 1.323 -13.095 3.693 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.525 -15.976 4.277 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.082 -14.835 5.486 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.469 -14.653 3.852 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.337 -14.987 5.567 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.049 -12.610 5.369 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.166 -12.407 4.122 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.603 -12.953 7.073 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.090 -11.538 6.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.044 -12.641 6.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.413 -13.365 4.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.329 -14.179 6.294 1.00 0.00 H new ATOM 811 N GLU A 54 2.918 -15.927 3.056 1.00 0.00 N ATOM 812 CA GLU A 54 4.208 -16.605 3.067 1.00 0.00 C ATOM 813 C GLU A 54 5.204 -15.928 2.133 1.00 0.00 C ATOM 814 O GLU A 54 6.338 -15.646 2.527 1.00 0.00 O ATOM 815 CB GLU A 54 4.022 -18.067 2.660 1.00 0.00 C ATOM 816 CG GLU A 54 3.100 -18.847 3.584 1.00 0.00 C ATOM 817 CD GLU A 54 2.850 -20.260 3.102 1.00 0.00 C ATOM 818 OE1 GLU A 54 3.713 -21.134 3.334 1.00 0.00 O ATOM 819 OE2 GLU A 54 1.793 -20.510 2.486 1.00 0.00 O ATOM 0 H GLU A 54 2.149 -16.505 2.717 1.00 0.00 H new ATOM 0 HA GLU A 54 4.611 -16.552 4.078 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.623 -18.105 1.647 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.996 -18.555 2.637 1.00 0.00 H new ATOM 0 HG2 GLU A 54 3.536 -18.880 4.583 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.148 -18.322 3.669 1.00 0.00 H new ATOM 826 N ARG A 55 4.773 -15.673 0.901 1.00 0.00 N ATOM 827 CA ARG A 55 5.625 -15.043 -0.100 1.00 0.00 C ATOM 828 C ARG A 55 6.167 -13.703 0.381 1.00 0.00 C ATOM 829 O ARG A 55 7.346 -13.414 0.206 1.00 0.00 O ATOM 830 CB ARG A 55 4.849 -14.852 -1.398 1.00 0.00 C ATOM 831 CG ARG A 55 5.388 -15.671 -2.551 1.00 0.00 C ATOM 832 CD ARG A 55 6.761 -15.177 -2.994 1.00 0.00 C ATOM 833 NE ARG A 55 7.270 -15.916 -4.151 1.00 0.00 N ATOM 834 CZ ARG A 55 8.206 -16.864 -4.077 1.00 0.00 C ATOM 835 NH1 ARG A 55 8.759 -17.166 -2.907 1.00 0.00 N ATOM 836 NH2 ARG A 55 8.603 -17.500 -5.173 1.00 0.00 N ATOM 0 H ARG A 55 3.833 -15.895 0.572 1.00 0.00 H new ATOM 0 HA ARG A 55 6.475 -15.703 -0.274 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.805 -15.118 -1.230 1.00 0.00 H new ATOM 0 HB3 ARG A 55 4.869 -13.797 -1.672 1.00 0.00 H new ATOM 0 HG2 ARG A 55 5.455 -16.718 -2.255 1.00 0.00 H new ATOM 0 HG3 ARG A 55 4.694 -15.621 -3.390 1.00 0.00 H new ATOM 0 HD2 ARG A 55 6.701 -14.117 -3.240 1.00 0.00 H new ATOM 0 HD3 ARG A 55 7.464 -15.273 -2.166 1.00 0.00 H new ATOM 0 HE ARG A 55 6.886 -15.693 -5.069 1.00 0.00 H new ATOM 0 HH11 ARG A 55 8.468 -16.673 -2.063 1.00 0.00 H new ATOM 0 HH12 ARG A 55 9.474 -17.891 -2.853 1.00 0.00 H new ATOM 0 HH21 ARG A 55 8.192 -17.265 -6.076 1.00 0.00 H new ATOM 0 HH22 ARG A 55 9.319 -18.224 -5.111 1.00 0.00 H new ATOM 850 N LEU A 56 5.306 -12.895 0.981 1.00 0.00 N ATOM 851 CA LEU A 56 5.706 -11.577 1.462 1.00 0.00 C ATOM 852 C LEU A 56 6.570 -11.681 2.716 1.00 0.00 C ATOM 853 O LEU A 56 7.624 -11.050 2.804 1.00 0.00 O ATOM 854 CB LEU A 56 4.469 -10.720 1.740 1.00 0.00 C ATOM 855 CG LEU A 56 3.630 -10.384 0.502 1.00 0.00 C ATOM 856 CD1 LEU A 56 2.424 -9.542 0.879 1.00 0.00 C ATOM 857 CD2 LEU A 56 4.474 -9.666 -0.540 1.00 0.00 C ATOM 0 H LEU A 56 4.327 -13.126 1.147 1.00 0.00 H new ATOM 0 HA LEU A 56 6.303 -11.101 0.684 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.837 -11.241 2.460 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.787 -9.789 2.210 1.00 0.00 H new ATOM 0 HG LEU A 56 3.273 -11.320 0.072 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.844 -9.316 -0.016 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.802 -10.092 1.585 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.759 -8.612 1.339 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.860 -9.437 -1.411 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.864 -8.740 -0.117 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.304 -10.306 -0.840 1.00 0.00 H new ATOM 869 N LEU A 57 6.115 -12.487 3.670 1.00 0.00 N ATOM 870 CA LEU A 57 6.808 -12.682 4.941 1.00 0.00 C ATOM 871 C LEU A 57 8.267 -13.083 4.723 1.00 0.00 C ATOM 872 O LEU A 57 9.163 -12.621 5.434 1.00 0.00 O ATOM 873 CB LEU A 57 6.073 -13.760 5.747 1.00 0.00 C ATOM 874 CG LEU A 57 6.191 -13.657 7.269 1.00 0.00 C ATOM 875 CD1 LEU A 57 5.128 -14.516 7.940 1.00 0.00 C ATOM 876 CD2 LEU A 57 7.573 -14.075 7.752 1.00 0.00 C ATOM 0 H LEU A 57 5.253 -13.025 3.584 1.00 0.00 H new ATOM 0 HA LEU A 57 6.807 -11.741 5.492 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.016 -13.727 5.481 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.449 -14.736 5.439 1.00 0.00 H new ATOM 0 HG LEU A 57 6.038 -12.613 7.542 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.224 -14.433 9.023 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.139 -14.174 7.636 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.260 -15.556 7.643 1.00 0.00 H new ATOM 0 HD21 LEU A 57 7.620 -13.989 8.838 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.763 -15.108 7.461 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.326 -13.427 7.304 1.00 0.00 H new ATOM 888 N ALA A 58 8.505 -13.933 3.735 1.00 0.00 N ATOM 889 CA ALA A 58 9.847 -14.427 3.469 1.00 0.00 C ATOM 890 C ALA A 58 10.350 -13.950 2.110 1.00 0.00 C ATOM 891 O ALA A 58 11.080 -14.668 1.421 1.00 0.00 O ATOM 892 CB ALA A 58 9.859 -15.947 3.535 1.00 0.00 C ATOM 0 H ALA A 58 7.788 -14.294 3.106 1.00 0.00 H new ATOM 0 HA ALA A 58 10.518 -14.030 4.231 1.00 0.00 H new ATOM 0 HB1 ALA A 58 10.866 -16.312 3.335 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.546 -16.271 4.528 1.00 0.00 H new ATOM 0 HB3 ALA A 58 9.173 -16.349 2.790 1.00 0.00 H new ATOM 898 N LEU A 59 9.983 -12.733 1.730 1.00 0.00 N ATOM 899 CA LEU A 59 10.359 -12.201 0.430 1.00 0.00 C ATOM 900 C LEU A 59 11.783 -11.657 0.459 1.00 0.00 C ATOM 901 O LEU A 59 12.352 -11.421 1.525 1.00 0.00 O ATOM 902 CB LEU A 59 9.380 -11.106 -0.004 1.00 0.00 C ATOM 903 CG LEU A 59 9.457 -10.710 -1.478 1.00 0.00 C ATOM 904 CD1 LEU A 59 9.231 -11.921 -2.369 1.00 0.00 C ATOM 905 CD2 LEU A 59 8.440 -9.627 -1.793 1.00 0.00 C ATOM 0 H LEU A 59 9.427 -12.098 2.303 1.00 0.00 H new ATOM 0 HA LEU A 59 10.317 -13.014 -0.295 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.366 -11.441 0.213 1.00 0.00 H new ATOM 0 HB3 LEU A 59 9.559 -10.219 0.604 1.00 0.00 H new ATOM 0 HG LEU A 59 10.454 -10.317 -1.674 1.00 0.00 H new ATOM 0 HD11 LEU A 59 9.290 -11.619 -3.415 1.00 0.00 H new ATOM 0 HD12 LEU A 59 9.995 -12.671 -2.164 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.246 -12.342 -2.167 1.00 0.00 H new ATOM 0 HD21 LEU A 59 8.510 -9.358 -2.847 1.00 0.00 H new ATOM 0 HD22 LEU A 59 7.437 -9.996 -1.578 1.00 0.00 H new ATOM 0 HD23 LEU A 59 8.642 -8.749 -1.180 1.00 0.00 H new ATOM 917 N ASN A 60 12.343 -11.459 -0.723 1.00 0.00 N ATOM 918 CA ASN A 60 13.698 -10.947 -0.870 1.00 0.00 C ATOM 919 C ASN A 60 13.665 -9.427 -0.961 1.00 0.00 C ATOM 920 O ASN A 60 14.667 -8.776 -1.252 1.00 0.00 O ATOM 921 CB ASN A 60 14.330 -11.544 -2.130 1.00 0.00 C ATOM 922 CG ASN A 60 15.831 -11.315 -2.238 1.00 0.00 C ATOM 923 OD1 ASN A 60 16.516 -11.273 -1.108 1.00 0.00 O flip ATOM 924 ND2 ASN A 60 16.371 -11.198 -3.339 1.00 0.00 N flip ATOM 0 H ASN A 60 11.872 -11.648 -1.608 1.00 0.00 H new ATOM 0 HA ASN A 60 14.296 -11.231 -0.004 1.00 0.00 H new ATOM 0 HB2 ASN A 60 14.134 -12.616 -2.149 1.00 0.00 H new ATOM 0 HB3 ASN A 60 13.843 -11.115 -3.006 1.00 0.00 H new ATOM 0 HD21 ASN A 60 15.809 -11.236 -4.189 1.00 0.00 H new ATOM 0 HD22 ASN A 60 17.380 -11.063 -3.400 1.00 0.00 H new ATOM 931 N ASP A 61 12.494 -8.877 -0.687 1.00 0.00 N ATOM 932 CA ASP A 61 12.265 -7.451 -0.784 1.00 0.00 C ATOM 933 C ASP A 61 12.921 -6.737 0.386 1.00 0.00 C ATOM 934 O ASP A 61 13.087 -7.303 1.471 1.00 0.00 O ATOM 935 CB ASP A 61 10.761 -7.166 -0.825 1.00 0.00 C ATOM 936 CG ASP A 61 10.446 -5.718 -1.142 1.00 0.00 C ATOM 937 OD1 ASP A 61 10.310 -5.378 -2.330 1.00 0.00 O ATOM 938 OD2 ASP A 61 10.329 -4.918 -0.201 1.00 0.00 O ATOM 0 H ASP A 61 11.676 -9.410 -0.391 1.00 0.00 H new ATOM 0 HA ASP A 61 12.711 -7.077 -1.705 1.00 0.00 H new ATOM 0 HB2 ASP A 61 10.295 -7.807 -1.573 1.00 0.00 H new ATOM 0 HB3 ASP A 61 10.320 -7.427 0.137 1.00 0.00 H new ATOM 943 N SER A 62 13.302 -5.500 0.154 1.00 0.00 N ATOM 944 CA SER A 62 14.033 -4.719 1.140 1.00 0.00 C ATOM 945 C SER A 62 13.151 -3.648 1.785 1.00 0.00 C ATOM 946 O SER A 62 13.607 -2.871 2.626 1.00 0.00 O ATOM 947 CB SER A 62 15.258 -4.084 0.484 1.00 0.00 C ATOM 948 OG SER A 62 14.920 -3.478 -0.756 1.00 0.00 O ATOM 0 H SER A 62 13.117 -5.005 -0.718 1.00 0.00 H new ATOM 0 HA SER A 62 14.355 -5.391 1.936 1.00 0.00 H new ATOM 0 HB2 SER A 62 15.686 -3.337 1.152 1.00 0.00 H new ATOM 0 HB3 SER A 62 16.023 -4.844 0.324 1.00 0.00 H new ATOM 0 HG SER A 62 14.792 -4.173 -1.435 1.00 0.00 H new ATOM 954 N ARG A 63 11.889 -3.601 1.384 1.00 0.00 N ATOM 955 CA ARG A 63 10.917 -2.697 1.988 1.00 0.00 C ATOM 956 C ARG A 63 9.956 -3.502 2.854 1.00 0.00 C ATOM 957 O ARG A 63 9.624 -3.116 3.977 1.00 0.00 O ATOM 958 CB ARG A 63 10.125 -1.948 0.908 1.00 0.00 C ATOM 959 CG ARG A 63 10.974 -1.176 -0.096 1.00 0.00 C ATOM 960 CD ARG A 63 11.690 0.010 0.533 1.00 0.00 C ATOM 961 NE ARG A 63 12.915 -0.377 1.231 1.00 0.00 N ATOM 962 CZ ARG A 63 14.057 0.302 1.148 1.00 0.00 C ATOM 963 NH1 ARG A 63 14.122 1.414 0.424 1.00 0.00 N ATOM 964 NH2 ARG A 63 15.134 -0.124 1.795 1.00 0.00 N ATOM 0 H ARG A 63 11.510 -4.183 0.637 1.00 0.00 H new ATOM 0 HA ARG A 63 11.449 -1.966 2.597 1.00 0.00 H new ATOM 0 HB2 ARG A 63 9.511 -2.667 0.365 1.00 0.00 H new ATOM 0 HB3 ARG A 63 9.444 -1.251 1.396 1.00 0.00 H new ATOM 0 HG2 ARG A 63 11.710 -1.848 -0.536 1.00 0.00 H new ATOM 0 HG3 ARG A 63 10.339 -0.823 -0.908 1.00 0.00 H new ATOM 0 HD2 ARG A 63 11.933 0.736 -0.243 1.00 0.00 H new ATOM 0 HD3 ARG A 63 11.018 0.505 1.234 1.00 0.00 H new ATOM 0 HE ARG A 63 12.893 -1.214 1.814 1.00 0.00 H new ATOM 0 HH11 ARG A 63 13.295 1.750 -0.070 1.00 0.00 H new ATOM 0 HH12 ARG A 63 14.999 1.932 0.362 1.00 0.00 H new ATOM 0 HH21 ARG A 63 15.088 -0.974 2.358 1.00 0.00 H new ATOM 0 HH22 ARG A 63 16.008 0.398 1.730 1.00 0.00 H new ATOM 978 N ILE A 64 9.518 -4.627 2.307 1.00 0.00 N ATOM 979 CA ILE A 64 8.634 -5.545 3.006 1.00 0.00 C ATOM 980 C ILE A 64 9.387 -6.260 4.116 1.00 0.00 C ATOM 981 O ILE A 64 10.349 -6.983 3.859 1.00 0.00 O ATOM 982 CB ILE A 64 8.036 -6.591 2.040 1.00 0.00 C ATOM 983 CG1 ILE A 64 7.293 -5.894 0.897 1.00 0.00 C ATOM 984 CG2 ILE A 64 7.101 -7.535 2.787 1.00 0.00 C ATOM 985 CD1 ILE A 64 6.762 -6.844 -0.150 1.00 0.00 C ATOM 0 H ILE A 64 9.767 -4.928 1.365 1.00 0.00 H new ATOM 0 HA ILE A 64 7.820 -4.959 3.433 1.00 0.00 H new ATOM 0 HB ILE A 64 8.851 -7.179 1.617 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.462 -5.322 1.311 1.00 0.00 H new ATOM 0 HG13 ILE A 64 7.965 -5.181 0.420 1.00 0.00 H new ATOM 0 HG21 ILE A 64 6.689 -8.265 2.091 1.00 0.00 H new ATOM 0 HG22 ILE A 64 7.656 -8.053 3.570 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.289 -6.963 3.236 1.00 0.00 H new ATOM 0 HD11 ILE A 64 6.248 -6.278 -0.927 1.00 0.00 H new ATOM 0 HD12 ILE A 64 7.590 -7.398 -0.592 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.064 -7.542 0.312 1.00 0.00 H new ATOM 997 N THR A 65 8.958 -6.048 5.346 1.00 0.00 N ATOM 998 CA THR A 65 9.597 -6.668 6.488 1.00 0.00 C ATOM 999 C THR A 65 8.965 -8.017 6.801 1.00 0.00 C ATOM 1000 O THR A 65 7.816 -8.276 6.432 1.00 0.00 O ATOM 1001 CB THR A 65 9.509 -5.755 7.723 1.00 0.00 C ATOM 1002 OG1 THR A 65 8.156 -5.307 7.903 1.00 0.00 O ATOM 1003 CG2 THR A 65 10.436 -4.557 7.573 1.00 0.00 C ATOM 0 H THR A 65 8.166 -5.448 5.579 1.00 0.00 H new ATOM 0 HA THR A 65 10.646 -6.824 6.236 1.00 0.00 H new ATOM 0 HB THR A 65 9.820 -6.325 8.598 1.00 0.00 H new ATOM 0 HG1 THR A 65 8.105 -4.727 8.692 1.00 0.00 H new ATOM 0 HG21 THR A 65 10.359 -3.924 8.457 1.00 0.00 H new ATOM 0 HG22 THR A 65 11.464 -4.904 7.464 1.00 0.00 H new ATOM 0 HG23 THR A 65 10.151 -3.984 6.691 1.00 0.00 H new ATOM 1011 N SER A 66 9.715 -8.870 7.489 1.00 0.00 N ATOM 1012 CA SER A 66 9.232 -10.189 7.884 1.00 0.00 C ATOM 1013 C SER A 66 8.083 -10.088 8.894 1.00 0.00 C ATOM 1014 O SER A 66 7.446 -11.083 9.233 1.00 0.00 O ATOM 1015 CB SER A 66 10.394 -11.003 8.459 1.00 0.00 C ATOM 1016 OG SER A 66 11.168 -10.215 9.356 1.00 0.00 O ATOM 0 H SER A 66 10.669 -8.669 7.788 1.00 0.00 H new ATOM 0 HA SER A 66 8.839 -10.695 7.002 1.00 0.00 H new ATOM 0 HB2 SER A 66 10.008 -11.880 8.979 1.00 0.00 H new ATOM 0 HB3 SER A 66 11.026 -11.366 7.648 1.00 0.00 H new ATOM 0 HG SER A 66 11.904 -10.754 9.713 1.00 0.00 H new ATOM 1022 N ASP A 67 7.831 -8.872 9.370 1.00 0.00 N ATOM 1023 CA ASP A 67 6.710 -8.608 10.268 1.00 0.00 C ATOM 1024 C ASP A 67 5.414 -8.542 9.479 1.00 0.00 C ATOM 1025 O ASP A 67 4.328 -8.780 10.010 1.00 0.00 O ATOM 1026 CB ASP A 67 6.914 -7.282 11.007 1.00 0.00 C ATOM 1027 CG ASP A 67 8.092 -7.310 11.951 1.00 0.00 C ATOM 1028 OD1 ASP A 67 9.245 -7.364 11.474 1.00 0.00 O ATOM 1029 OD2 ASP A 67 7.875 -7.281 13.179 1.00 0.00 O ATOM 0 H ASP A 67 8.391 -8.049 9.147 1.00 0.00 H new ATOM 0 HA ASP A 67 6.657 -9.419 10.994 1.00 0.00 H new ATOM 0 HB2 ASP A 67 7.058 -6.484 10.278 1.00 0.00 H new ATOM 0 HB3 ASP A 67 6.011 -7.042 11.568 1.00 0.00 H new ATOM 1034 N GLY A 68 5.543 -8.222 8.202 1.00 0.00 N ATOM 1035 CA GLY A 68 4.378 -8.027 7.368 1.00 0.00 C ATOM 1036 C GLY A 68 3.744 -6.672 7.605 1.00 0.00 C ATOM 1037 O GLY A 68 2.531 -6.569 7.773 1.00 0.00 O ATOM 0 H GLY A 68 6.437 -8.094 7.727 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.661 -8.119 6.319 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.649 -8.811 7.571 1.00 0.00 H new ATOM 1041 N VAL A 69 4.566 -5.631 7.640 1.00 0.00 N ATOM 1042 CA VAL A 69 4.074 -4.273 7.831 1.00 0.00 C ATOM 1043 C VAL A 69 4.565 -3.370 6.709 1.00 0.00 C ATOM 1044 O VAL A 69 5.761 -3.327 6.411 1.00 0.00 O ATOM 1045 CB VAL A 69 4.522 -3.683 9.186 1.00 0.00 C ATOM 1046 CG1 VAL A 69 3.912 -2.306 9.407 1.00 0.00 C ATOM 1047 CG2 VAL A 69 4.161 -4.618 10.334 1.00 0.00 C ATOM 0 H VAL A 69 5.578 -5.702 7.538 1.00 0.00 H new ATOM 0 HA VAL A 69 2.985 -4.323 7.821 1.00 0.00 H new ATOM 0 HB VAL A 69 5.607 -3.577 9.161 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.242 -1.912 10.368 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.231 -1.634 8.610 1.00 0.00 H new ATOM 0 HG13 VAL A 69 2.825 -2.385 9.402 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.487 -4.179 11.277 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.081 -4.766 10.357 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.656 -5.579 10.190 1.00 0.00 H new ATOM 1057 N ILE A 70 3.639 -2.665 6.083 1.00 0.00 N ATOM 1058 CA ILE A 70 3.970 -1.742 5.005 1.00 0.00 C ATOM 1059 C ILE A 70 3.421 -0.350 5.311 1.00 0.00 C ATOM 1060 O ILE A 70 2.247 -0.196 5.640 1.00 0.00 O ATOM 1061 CB ILE A 70 3.409 -2.238 3.652 1.00 0.00 C ATOM 1062 CG1 ILE A 70 4.073 -3.559 3.250 1.00 0.00 C ATOM 1063 CG2 ILE A 70 3.618 -1.194 2.565 1.00 0.00 C ATOM 1064 CD1 ILE A 70 5.560 -3.429 2.996 1.00 0.00 C ATOM 0 H ILE A 70 2.644 -2.713 6.303 1.00 0.00 H new ATOM 0 HA ILE A 70 5.056 -1.693 4.930 1.00 0.00 H new ATOM 0 HB ILE A 70 2.338 -2.404 3.769 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.909 -4.294 4.038 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.590 -3.942 2.351 1.00 0.00 H new ATOM 0 HG21 ILE A 70 3.216 -1.565 1.622 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.105 -0.273 2.841 1.00 0.00 H new ATOM 0 HG23 ILE A 70 4.684 -0.995 2.451 1.00 0.00 H new ATOM 0 HD11 ILE A 70 5.968 -4.400 2.716 1.00 0.00 H new ATOM 0 HD12 ILE A 70 5.730 -2.717 2.188 1.00 0.00 H new ATOM 0 HD13 ILE A 70 6.054 -3.076 3.901 1.00 0.00 H new ATOM 1076 N VAL A 71 4.279 0.660 5.218 1.00 0.00 N ATOM 1077 CA VAL A 71 3.877 2.035 5.488 1.00 0.00 C ATOM 1078 C VAL A 71 4.276 2.944 4.330 1.00 0.00 C ATOM 1079 O VAL A 71 5.416 2.908 3.868 1.00 0.00 O ATOM 1080 CB VAL A 71 4.511 2.571 6.789 1.00 0.00 C ATOM 1081 CG1 VAL A 71 4.072 4.002 7.055 1.00 0.00 C ATOM 1082 CG2 VAL A 71 4.162 1.678 7.971 1.00 0.00 C ATOM 0 H VAL A 71 5.259 0.552 4.957 1.00 0.00 H new ATOM 0 HA VAL A 71 2.793 2.035 5.604 1.00 0.00 H new ATOM 0 HB VAL A 71 5.594 2.563 6.662 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.532 4.358 7.977 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.382 4.638 6.226 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.987 4.037 7.153 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.620 2.077 8.876 1.00 0.00 H new ATOM 0 HG22 VAL A 71 3.080 1.646 8.096 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.536 0.670 7.789 1.00 0.00 H new ATOM 1092 N LEU A 72 3.331 3.747 3.860 1.00 0.00 N ATOM 1093 CA LEU A 72 3.595 4.688 2.778 1.00 0.00 C ATOM 1094 C LEU A 72 2.963 6.038 3.068 1.00 0.00 C ATOM 1095 O LEU A 72 2.129 6.170 3.968 1.00 0.00 O ATOM 1096 CB LEU A 72 3.039 4.185 1.436 1.00 0.00 C ATOM 1097 CG LEU A 72 3.477 2.788 1.001 1.00 0.00 C ATOM 1098 CD1 LEU A 72 2.481 1.750 1.484 1.00 0.00 C ATOM 1099 CD2 LEU A 72 3.632 2.723 -0.512 1.00 0.00 C ATOM 0 H LEU A 72 2.373 3.766 4.211 1.00 0.00 H new ATOM 0 HA LEU A 72 4.679 4.782 2.710 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.950 4.201 1.490 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.330 4.892 0.659 1.00 0.00 H new ATOM 0 HG LEU A 72 4.446 2.572 1.451 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.806 0.759 1.167 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.421 1.781 2.572 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.499 1.963 1.061 1.00 0.00 H new ATOM 0 HD21 LEU A 72 3.945 1.720 -0.803 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.679 2.958 -0.986 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.384 3.444 -0.832 1.00 0.00 H new ATOM 1111 N LYS A 73 3.362 7.032 2.291 1.00 0.00 N ATOM 1112 CA LYS A 73 2.698 8.323 2.287 1.00 0.00 C ATOM 1113 C LYS A 73 2.692 8.890 0.879 1.00 0.00 C ATOM 1114 O LYS A 73 3.726 9.267 0.327 1.00 0.00 O ATOM 1115 CB LYS A 73 3.321 9.312 3.279 1.00 0.00 C ATOM 1116 CG LYS A 73 4.829 9.450 3.193 1.00 0.00 C ATOM 1117 CD LYS A 73 5.240 10.916 3.179 1.00 0.00 C ATOM 1118 CE LYS A 73 6.693 11.112 3.578 1.00 0.00 C ATOM 1119 NZ LYS A 73 6.897 10.942 5.041 1.00 0.00 N ATOM 0 H LYS A 73 4.152 6.966 1.649 1.00 0.00 H new ATOM 0 HA LYS A 73 1.671 8.168 2.619 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.873 10.293 3.119 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.058 9.002 4.290 1.00 0.00 H new ATOM 0 HG2 LYS A 73 5.293 8.946 4.041 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.193 8.958 2.291 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.081 11.326 2.182 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.600 11.477 3.860 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.316 10.398 3.040 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.020 12.108 3.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 7.874 11.199 5.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.236 11.557 5.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.724 9.951 5.303 1.00 0.00 H new ATOM 1133 N ALA A 74 1.509 8.922 0.302 1.00 0.00 N ATOM 1134 CA ALA A 74 1.330 9.340 -1.074 1.00 0.00 C ATOM 1135 C ALA A 74 1.128 10.843 -1.161 1.00 0.00 C ATOM 1136 O ALA A 74 0.094 11.365 -0.750 1.00 0.00 O ATOM 1137 CB ALA A 74 0.157 8.605 -1.704 1.00 0.00 C ATOM 0 H ALA A 74 0.644 8.659 0.773 1.00 0.00 H new ATOM 0 HA ALA A 74 2.234 9.088 -1.628 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.036 8.930 -2.737 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.346 7.532 -1.681 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -0.753 8.825 -1.146 1.00 0.00 H new ATOM 1143 N GLN A 75 2.132 11.529 -1.680 1.00 0.00 N ATOM 1144 CA GLN A 75 2.082 12.970 -1.853 1.00 0.00 C ATOM 1145 C GLN A 75 2.752 13.363 -3.163 1.00 0.00 C ATOM 1146 O GLN A 75 3.160 14.508 -3.353 1.00 0.00 O ATOM 1147 CB GLN A 75 2.754 13.674 -0.665 1.00 0.00 C ATOM 1148 CG GLN A 75 4.034 13.007 -0.157 1.00 0.00 C ATOM 1149 CD GLN A 75 5.193 13.079 -1.136 1.00 0.00 C ATOM 1150 OE1 GLN A 75 5.381 12.185 -1.961 1.00 0.00 O ATOM 1151 NE2 GLN A 75 5.979 14.139 -1.054 1.00 0.00 N ATOM 0 H GLN A 75 3.004 11.103 -1.993 1.00 0.00 H new ATOM 0 HA GLN A 75 1.039 13.285 -1.890 1.00 0.00 H new ATOM 0 HB2 GLN A 75 2.986 14.699 -0.954 1.00 0.00 H new ATOM 0 HB3 GLN A 75 2.040 13.728 0.157 1.00 0.00 H new ATOM 0 HG2 GLN A 75 4.332 13.479 0.779 1.00 0.00 H new ATOM 0 HG3 GLN A 75 3.824 11.961 0.066 1.00 0.00 H new ATOM 0 HE21 GLN A 75 5.792 14.860 -0.357 1.00 0.00 H new ATOM 0 HE22 GLN A 75 6.772 14.236 -1.688 1.00 0.00 H new ATOM 1160 N GLN A 76 2.850 12.399 -4.069 1.00 0.00 N ATOM 1161 CA GLN A 76 3.562 12.596 -5.321 1.00 0.00 C ATOM 1162 C GLN A 76 2.712 13.394 -6.305 1.00 0.00 C ATOM 1163 O GLN A 76 3.237 14.178 -7.102 1.00 0.00 O ATOM 1164 CB GLN A 76 3.955 11.239 -5.923 1.00 0.00 C ATOM 1165 CG GLN A 76 4.952 11.332 -7.071 1.00 0.00 C ATOM 1166 CD GLN A 76 6.279 11.939 -6.651 1.00 0.00 C ATOM 1167 OE1 GLN A 76 7.195 11.235 -6.222 1.00 0.00 O ATOM 1168 NE2 GLN A 76 6.397 13.247 -6.788 1.00 0.00 N ATOM 0 H GLN A 76 2.443 11.470 -3.958 1.00 0.00 H new ATOM 0 HA GLN A 76 4.469 13.165 -5.119 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.380 10.615 -5.137 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.055 10.737 -6.278 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.126 10.335 -7.477 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.521 11.932 -7.873 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.615 13.795 -7.147 1.00 0.00 H new ATOM 0 HE22 GLN A 76 7.270 13.710 -6.535 1.00 0.00 H new ATOM 1177 N TYR A 77 1.401 13.202 -6.246 1.00 0.00 N ATOM 1178 CA TYR A 77 0.486 13.927 -7.109 1.00 0.00 C ATOM 1179 C TYR A 77 -0.176 15.055 -6.328 1.00 0.00 C ATOM 1180 O TYR A 77 -0.174 15.052 -5.095 1.00 0.00 O ATOM 1181 CB TYR A 77 -0.580 12.986 -7.670 1.00 0.00 C ATOM 1182 CG TYR A 77 -0.845 13.167 -9.149 1.00 0.00 C ATOM 1183 CD1 TYR A 77 -1.675 14.179 -9.609 1.00 0.00 C ATOM 1184 CD2 TYR A 77 -0.250 12.330 -10.084 1.00 0.00 C ATOM 1185 CE1 TYR A 77 -1.914 14.346 -10.961 1.00 0.00 C ATOM 1186 CE2 TYR A 77 -0.482 12.490 -11.436 1.00 0.00 C ATOM 1187 CZ TYR A 77 -1.311 13.503 -11.869 1.00 0.00 C ATOM 1188 OH TYR A 77 -1.542 13.674 -13.216 1.00 0.00 O ATOM 0 H TYR A 77 0.949 12.548 -5.607 1.00 0.00 H new ATOM 0 HA TYR A 77 1.050 14.348 -7.941 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -0.272 11.956 -7.490 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -1.510 13.140 -7.123 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -2.142 14.847 -8.900 1.00 0.00 H new ATOM 0 HD2 TYR A 77 0.406 11.540 -9.748 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -2.570 15.133 -11.303 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -0.017 11.826 -12.150 1.00 0.00 H new ATOM 0 HH TYR A 77 -1.042 12.999 -13.722 1.00 0.00 H new ATOM 1198 N ARG A 78 -0.747 16.009 -7.042 1.00 0.00 N ATOM 1199 CA ARG A 78 -1.385 17.154 -6.404 1.00 0.00 C ATOM 1200 C ARG A 78 -2.722 16.764 -5.788 1.00 0.00 C ATOM 1201 O ARG A 78 -3.045 17.176 -4.674 1.00 0.00 O ATOM 1202 CB ARG A 78 -1.597 18.292 -7.400 1.00 0.00 C ATOM 1203 CG ARG A 78 -2.271 19.498 -6.773 1.00 0.00 C ATOM 1204 CD ARG A 78 -2.738 20.499 -7.813 1.00 0.00 C ATOM 1205 NE ARG A 78 -3.569 21.535 -7.212 1.00 0.00 N ATOM 1206 CZ ARG A 78 -4.900 21.500 -7.195 1.00 0.00 C ATOM 1207 NH1 ARG A 78 -5.547 20.523 -7.820 1.00 0.00 N ATOM 1208 NH2 ARG A 78 -5.579 22.450 -6.567 1.00 0.00 N ATOM 0 H ARG A 78 -0.784 16.017 -8.061 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.717 17.496 -5.613 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -0.634 18.592 -7.813 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.203 17.933 -8.232 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -3.124 19.168 -6.180 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.577 19.985 -6.088 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -1.874 20.956 -8.295 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -3.301 19.983 -8.591 1.00 0.00 H new ATOM 0 HE ARG A 78 -3.104 22.333 -6.779 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -5.024 19.799 -8.313 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -6.567 20.496 -7.807 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -5.082 23.207 -6.097 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -6.599 22.424 -6.553 1.00 0.00 H new ATOM 1222 N THR A 79 -3.500 15.978 -6.511 1.00 0.00 N ATOM 1223 CA THR A 79 -4.805 15.563 -6.033 1.00 0.00 C ATOM 1224 C THR A 79 -4.702 14.342 -5.126 1.00 0.00 C ATOM 1225 O THR A 79 -4.100 13.326 -5.486 1.00 0.00 O ATOM 1226 CB THR A 79 -5.767 15.282 -7.202 1.00 0.00 C ATOM 1227 OG1 THR A 79 -5.075 14.614 -8.265 1.00 0.00 O ATOM 1228 CG2 THR A 79 -6.376 16.577 -7.714 1.00 0.00 C ATOM 0 H THR A 79 -3.250 15.615 -7.431 1.00 0.00 H new ATOM 0 HA THR A 79 -5.211 16.389 -5.448 1.00 0.00 H new ATOM 0 HB THR A 79 -6.568 14.638 -6.840 1.00 0.00 H new ATOM 0 HG1 THR A 79 -5.697 14.439 -9.002 1.00 0.00 H new ATOM 0 HG21 THR A 79 -7.053 16.359 -8.540 1.00 0.00 H new ATOM 0 HG22 THR A 79 -6.929 17.062 -6.910 1.00 0.00 H new ATOM 0 HG23 THR A 79 -5.583 17.240 -8.060 1.00 0.00 H new ATOM 1236 N GLN A 80 -5.299 14.459 -3.947 1.00 0.00 N ATOM 1237 CA GLN A 80 -5.258 13.407 -2.939 1.00 0.00 C ATOM 1238 C GLN A 80 -6.002 12.168 -3.432 1.00 0.00 C ATOM 1239 O GLN A 80 -5.650 11.039 -3.098 1.00 0.00 O ATOM 1240 CB GLN A 80 -5.872 13.929 -1.638 1.00 0.00 C ATOM 1241 CG GLN A 80 -5.617 13.040 -0.440 1.00 0.00 C ATOM 1242 CD GLN A 80 -6.069 13.667 0.862 1.00 0.00 C ATOM 1243 OE1 GLN A 80 -5.346 13.380 1.932 1.00 0.00 O flip ATOM 1244 NE2 GLN A 80 -7.044 14.421 0.907 1.00 0.00 N flip ATOM 0 H GLN A 80 -5.825 15.285 -3.662 1.00 0.00 H new ATOM 0 HA GLN A 80 -4.222 13.123 -2.753 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -5.473 14.922 -1.432 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -6.948 14.039 -1.774 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -6.135 12.091 -0.580 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -4.552 12.816 -0.380 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -7.576 14.618 0.059 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -7.318 14.848 1.792 1.00 0.00 H new ATOM 1253 N GLU A 81 -7.018 12.401 -4.250 1.00 0.00 N ATOM 1254 CA GLU A 81 -7.804 11.326 -4.839 1.00 0.00 C ATOM 1255 C GLU A 81 -6.933 10.414 -5.699 1.00 0.00 C ATOM 1256 O GLU A 81 -6.985 9.190 -5.572 1.00 0.00 O ATOM 1257 CB GLU A 81 -8.931 11.935 -5.675 1.00 0.00 C ATOM 1258 CG GLU A 81 -9.774 10.925 -6.431 1.00 0.00 C ATOM 1259 CD GLU A 81 -10.808 11.603 -7.302 1.00 0.00 C ATOM 1260 OE1 GLU A 81 -11.911 11.897 -6.797 1.00 0.00 O ATOM 1261 OE2 GLU A 81 -10.515 11.863 -8.489 1.00 0.00 O ATOM 0 H GLU A 81 -7.320 13.336 -4.523 1.00 0.00 H new ATOM 0 HA GLU A 81 -8.227 10.716 -4.041 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -9.582 12.512 -5.018 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -8.498 12.635 -6.390 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -9.128 10.302 -7.050 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -10.272 10.263 -5.723 1.00 0.00 H new ATOM 1268 N GLN A 82 -6.123 11.009 -6.559 1.00 0.00 N ATOM 1269 CA GLN A 82 -5.238 10.236 -7.413 1.00 0.00 C ATOM 1270 C GLN A 82 -4.064 9.668 -6.625 1.00 0.00 C ATOM 1271 O GLN A 82 -3.546 8.608 -6.970 1.00 0.00 O ATOM 1272 CB GLN A 82 -4.778 11.049 -8.621 1.00 0.00 C ATOM 1273 CG GLN A 82 -5.770 10.971 -9.770 1.00 0.00 C ATOM 1274 CD GLN A 82 -5.330 11.726 -11.004 1.00 0.00 C ATOM 1275 OE1 GLN A 82 -4.666 12.759 -10.918 1.00 0.00 O ATOM 1276 NE2 GLN A 82 -5.682 11.197 -12.167 1.00 0.00 N ATOM 0 H GLN A 82 -6.060 12.019 -6.684 1.00 0.00 H new ATOM 0 HA GLN A 82 -5.805 9.388 -7.798 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -4.644 12.090 -8.328 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -3.807 10.684 -8.955 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -5.928 9.925 -10.032 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.730 11.365 -9.437 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -6.233 10.339 -12.191 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -5.402 11.648 -13.038 1.00 0.00 H new ATOM 1285 N ASN A 83 -3.636 10.368 -5.580 1.00 0.00 N ATOM 1286 CA ASN A 83 -2.639 9.814 -4.661 1.00 0.00 C ATOM 1287 C ASN A 83 -3.140 8.499 -4.071 1.00 0.00 C ATOM 1288 O ASN A 83 -2.381 7.537 -3.944 1.00 0.00 O ATOM 1289 CB ASN A 83 -2.301 10.795 -3.532 1.00 0.00 C ATOM 1290 CG ASN A 83 -1.283 11.839 -3.951 1.00 0.00 C ATOM 1291 OD1 ASN A 83 -0.444 11.595 -4.817 1.00 0.00 O ATOM 1292 ND2 ASN A 83 -1.326 13.000 -3.316 1.00 0.00 N ATOM 0 H ASN A 83 -3.956 11.308 -5.347 1.00 0.00 H new ATOM 0 HA ASN A 83 -1.729 9.634 -5.233 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -3.213 11.294 -3.204 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -1.916 10.240 -2.677 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -0.648 13.729 -3.539 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -2.037 13.166 -2.603 1.00 0.00 H new ATOM 1299 N ARG A 84 -4.431 8.459 -3.731 1.00 0.00 N ATOM 1300 CA ARG A 84 -5.061 7.235 -3.250 1.00 0.00 C ATOM 1301 C ARG A 84 -4.948 6.141 -4.299 1.00 0.00 C ATOM 1302 O ARG A 84 -4.432 5.054 -4.038 1.00 0.00 O ATOM 1303 CB ARG A 84 -6.537 7.493 -2.950 1.00 0.00 C ATOM 1304 CG ARG A 84 -7.296 6.279 -2.434 1.00 0.00 C ATOM 1305 CD ARG A 84 -8.771 6.592 -2.248 1.00 0.00 C ATOM 1306 NE ARG A 84 -9.560 5.411 -1.890 1.00 0.00 N ATOM 1307 CZ ARG A 84 -10.896 5.392 -1.879 1.00 0.00 C ATOM 1308 NH1 ARG A 84 -11.576 6.483 -2.212 1.00 0.00 N ATOM 1309 NH2 ARG A 84 -11.557 4.286 -1.547 1.00 0.00 N ATOM 0 H ARG A 84 -5.057 9.262 -3.781 1.00 0.00 H new ATOM 0 HA ARG A 84 -4.553 6.916 -2.340 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -6.611 8.293 -2.213 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -7.022 7.851 -3.858 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -7.183 5.451 -3.134 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -6.868 5.955 -1.485 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -8.882 7.347 -1.470 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -9.166 7.022 -3.169 1.00 0.00 H new ATOM 0 HE ARG A 84 -9.063 4.557 -1.635 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -11.078 7.333 -2.476 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -12.596 6.470 -2.204 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -11.044 3.441 -1.297 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -12.577 4.284 -1.542 1.00 0.00 H new ATOM 1323 N ALA A 85 -5.435 6.456 -5.491 1.00 0.00 N ATOM 1324 CA ALA A 85 -5.445 5.513 -6.606 1.00 0.00 C ATOM 1325 C ALA A 85 -4.042 5.011 -6.947 1.00 0.00 C ATOM 1326 O ALA A 85 -3.847 3.818 -7.180 1.00 0.00 O ATOM 1327 CB ALA A 85 -6.085 6.159 -7.828 1.00 0.00 C ATOM 0 H ALA A 85 -5.833 7.368 -5.714 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.034 4.648 -6.301 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.088 5.449 -8.655 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.110 6.447 -7.593 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -5.516 7.044 -8.112 1.00 0.00 H new ATOM 1333 N ASP A 86 -3.075 5.920 -6.971 1.00 0.00 N ATOM 1334 CA ASP A 86 -1.701 5.578 -7.347 1.00 0.00 C ATOM 1335 C ASP A 86 -1.112 4.566 -6.376 1.00 0.00 C ATOM 1336 O ASP A 86 -0.584 3.525 -6.779 1.00 0.00 O ATOM 1337 CB ASP A 86 -0.825 6.831 -7.368 1.00 0.00 C ATOM 1338 CG ASP A 86 0.525 6.583 -8.015 1.00 0.00 C ATOM 1339 OD1 ASP A 86 1.453 6.116 -7.323 1.00 0.00 O ATOM 1340 OD2 ASP A 86 0.659 6.857 -9.228 1.00 0.00 O ATOM 0 H ASP A 86 -3.213 6.903 -6.735 1.00 0.00 H new ATOM 0 HA ASP A 86 -1.726 5.139 -8.344 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -1.343 7.624 -7.907 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -0.676 7.184 -6.348 1.00 0.00 H new ATOM 1345 N ALA A 87 -1.219 4.878 -5.089 1.00 0.00 N ATOM 1346 CA ALA A 87 -0.697 4.019 -4.036 1.00 0.00 C ATOM 1347 C ALA A 87 -1.356 2.643 -4.069 1.00 0.00 C ATOM 1348 O ALA A 87 -0.681 1.618 -3.948 1.00 0.00 O ATOM 1349 CB ALA A 87 -0.897 4.674 -2.677 1.00 0.00 C ATOM 0 H ALA A 87 -1.668 5.729 -4.749 1.00 0.00 H new ATOM 0 HA ALA A 87 0.371 3.881 -4.207 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.503 4.022 -1.897 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -0.371 5.628 -2.652 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -1.961 4.841 -2.507 1.00 0.00 H new ATOM 1355 N LEU A 88 -2.675 2.621 -4.253 1.00 0.00 N ATOM 1356 CA LEU A 88 -3.419 1.368 -4.316 1.00 0.00 C ATOM 1357 C LEU A 88 -3.005 0.551 -5.534 1.00 0.00 C ATOM 1358 O LEU A 88 -2.911 -0.676 -5.470 1.00 0.00 O ATOM 1359 CB LEU A 88 -4.926 1.638 -4.355 1.00 0.00 C ATOM 1360 CG LEU A 88 -5.507 2.311 -3.110 1.00 0.00 C ATOM 1361 CD1 LEU A 88 -7.003 2.531 -3.278 1.00 0.00 C ATOM 1362 CD2 LEU A 88 -5.227 1.477 -1.871 1.00 0.00 C ATOM 0 H LEU A 88 -3.249 3.457 -4.361 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.187 0.795 -3.419 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.143 2.265 -5.220 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.443 0.691 -4.510 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.025 3.281 -2.985 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.403 3.011 -2.385 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -7.182 3.169 -4.143 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -7.497 1.571 -3.427 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.648 1.972 -0.996 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.681 0.493 -1.985 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.150 1.367 -1.742 1.00 0.00 H new ATOM 1374 N LEU A 89 -2.755 1.237 -6.642 1.00 0.00 N ATOM 1375 CA LEU A 89 -2.328 0.580 -7.872 1.00 0.00 C ATOM 1376 C LEU A 89 -0.969 -0.081 -7.662 1.00 0.00 C ATOM 1377 O LEU A 89 -0.784 -1.257 -7.980 1.00 0.00 O ATOM 1378 CB LEU A 89 -2.256 1.597 -9.019 1.00 0.00 C ATOM 1379 CG LEU A 89 -2.704 1.085 -10.393 1.00 0.00 C ATOM 1380 CD1 LEU A 89 -1.842 -0.079 -10.861 1.00 0.00 C ATOM 1381 CD2 LEU A 89 -4.170 0.677 -10.354 1.00 0.00 C ATOM 0 H LEU A 89 -2.841 2.251 -6.715 1.00 0.00 H new ATOM 0 HA LEU A 89 -3.056 -0.187 -8.136 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.870 2.458 -8.755 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.229 1.951 -9.101 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.582 1.899 -11.108 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -2.187 -0.417 -11.838 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.804 0.244 -10.935 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -1.917 -0.898 -10.146 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -4.473 0.316 -11.337 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.308 -0.115 -9.618 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -4.780 1.538 -10.080 1.00 0.00 H new ATOM 1393 N ARG A 90 -0.035 0.673 -7.092 1.00 0.00 N ATOM 1394 CA ARG A 90 1.300 0.155 -6.810 1.00 0.00 C ATOM 1395 C ARG A 90 1.241 -1.011 -5.827 1.00 0.00 C ATOM 1396 O ARG A 90 1.986 -1.984 -5.964 1.00 0.00 O ATOM 1397 CB ARG A 90 2.206 1.256 -6.257 1.00 0.00 C ATOM 1398 CG ARG A 90 3.164 1.832 -7.286 1.00 0.00 C ATOM 1399 CD ARG A 90 2.437 2.571 -8.399 1.00 0.00 C ATOM 1400 NE ARG A 90 3.331 2.848 -9.523 1.00 0.00 N ATOM 1401 CZ ARG A 90 3.636 4.073 -9.957 1.00 0.00 C ATOM 1402 NH1 ARG A 90 3.117 5.147 -9.372 1.00 0.00 N ATOM 1403 NH2 ARG A 90 4.472 4.224 -10.980 1.00 0.00 N ATOM 0 H ARG A 90 -0.177 1.645 -6.816 1.00 0.00 H new ATOM 0 HA ARG A 90 1.718 -0.205 -7.750 1.00 0.00 H new ATOM 0 HB2 ARG A 90 1.586 2.060 -5.861 1.00 0.00 H new ATOM 0 HB3 ARG A 90 2.781 0.856 -5.422 1.00 0.00 H new ATOM 0 HG2 ARG A 90 3.857 2.513 -6.793 1.00 0.00 H new ATOM 0 HG3 ARG A 90 3.760 1.027 -7.716 1.00 0.00 H new ATOM 0 HD2 ARG A 90 1.591 1.975 -8.742 1.00 0.00 H new ATOM 0 HD3 ARG A 90 2.032 3.507 -8.014 1.00 0.00 H new ATOM 0 HE ARG A 90 3.749 2.053 -10.007 1.00 0.00 H new ATOM 0 HH11 ARG A 90 2.479 5.040 -8.583 1.00 0.00 H new ATOM 0 HH12 ARG A 90 3.357 6.079 -9.711 1.00 0.00 H new ATOM 0 HH21 ARG A 90 4.879 3.405 -11.431 1.00 0.00 H new ATOM 0 HH22 ARG A 90 4.706 5.159 -11.313 1.00 0.00 H new ATOM 1417 N LEU A 91 0.351 -0.909 -4.846 1.00 0.00 N ATOM 1418 CA LEU A 91 0.171 -1.961 -3.853 1.00 0.00 C ATOM 1419 C LEU A 91 -0.324 -3.234 -4.534 1.00 0.00 C ATOM 1420 O LEU A 91 0.208 -4.321 -4.311 1.00 0.00 O ATOM 1421 CB LEU A 91 -0.824 -1.490 -2.780 1.00 0.00 C ATOM 1422 CG LEU A 91 -0.786 -2.241 -1.442 1.00 0.00 C ATOM 1423 CD1 LEU A 91 -1.470 -1.420 -0.362 1.00 0.00 C ATOM 1424 CD2 LEU A 91 -1.453 -3.601 -1.555 1.00 0.00 C ATOM 0 H LEU A 91 -0.261 -0.103 -4.717 1.00 0.00 H new ATOM 0 HA LEU A 91 1.124 -2.179 -3.371 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.642 -0.433 -2.585 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.831 -1.570 -3.189 1.00 0.00 H new ATOM 0 HG LEU A 91 0.259 -2.395 -1.173 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -1.437 -1.962 0.583 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.956 -0.465 -0.250 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.508 -1.243 -0.643 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -1.410 -4.109 -0.591 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.494 -3.472 -1.851 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.934 -4.200 -2.304 1.00 0.00 H new ATOM 1436 N SER A 92 -1.328 -3.080 -5.383 1.00 0.00 N ATOM 1437 CA SER A 92 -1.900 -4.206 -6.109 1.00 0.00 C ATOM 1438 C SER A 92 -0.861 -4.848 -7.028 1.00 0.00 C ATOM 1439 O SER A 92 -0.765 -6.075 -7.122 1.00 0.00 O ATOM 1440 CB SER A 92 -3.111 -3.743 -6.921 1.00 0.00 C ATOM 1441 OG SER A 92 -3.751 -4.832 -7.568 1.00 0.00 O ATOM 0 H SER A 92 -1.766 -2.182 -5.588 1.00 0.00 H new ATOM 0 HA SER A 92 -2.221 -4.955 -5.385 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.821 -3.241 -6.263 1.00 0.00 H new ATOM 0 HB3 SER A 92 -2.794 -3.012 -7.665 1.00 0.00 H new ATOM 0 HG SER A 92 -4.521 -4.503 -8.077 1.00 0.00 H new ATOM 1447 N GLU A 93 -0.080 -4.002 -7.694 1.00 0.00 N ATOM 1448 CA GLU A 93 0.975 -4.459 -8.588 1.00 0.00 C ATOM 1449 C GLU A 93 1.997 -5.275 -7.805 1.00 0.00 C ATOM 1450 O GLU A 93 2.414 -6.340 -8.245 1.00 0.00 O ATOM 1451 CB GLU A 93 1.640 -3.250 -9.261 1.00 0.00 C ATOM 1452 CG GLU A 93 2.381 -3.568 -10.553 1.00 0.00 C ATOM 1453 CD GLU A 93 3.776 -4.122 -10.336 1.00 0.00 C ATOM 1454 OE1 GLU A 93 4.652 -3.361 -9.876 1.00 0.00 O ATOM 1455 OE2 GLU A 93 4.006 -5.309 -10.645 1.00 0.00 O ATOM 0 H GLU A 93 -0.161 -2.987 -7.629 1.00 0.00 H new ATOM 0 HA GLU A 93 0.548 -5.096 -9.363 1.00 0.00 H new ATOM 0 HB2 GLU A 93 0.875 -2.502 -9.471 1.00 0.00 H new ATOM 0 HB3 GLU A 93 2.341 -2.800 -8.558 1.00 0.00 H new ATOM 0 HG2 GLU A 93 1.799 -4.289 -11.127 1.00 0.00 H new ATOM 0 HG3 GLU A 93 2.449 -2.662 -11.155 1.00 0.00 H new ATOM 1462 N LEU A 94 2.350 -4.783 -6.624 1.00 0.00 N ATOM 1463 CA LEU A 94 3.323 -5.444 -5.757 1.00 0.00 C ATOM 1464 C LEU A 94 2.851 -6.850 -5.386 1.00 0.00 C ATOM 1465 O LEU A 94 3.644 -7.795 -5.356 1.00 0.00 O ATOM 1466 CB LEU A 94 3.555 -4.585 -4.499 1.00 0.00 C ATOM 1467 CG LEU A 94 4.727 -4.991 -3.590 1.00 0.00 C ATOM 1468 CD1 LEU A 94 4.365 -6.181 -2.713 1.00 0.00 C ATOM 1469 CD2 LEU A 94 5.965 -5.298 -4.419 1.00 0.00 C ATOM 0 H LEU A 94 1.972 -3.917 -6.239 1.00 0.00 H new ATOM 0 HA LEU A 94 4.268 -5.547 -6.291 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.712 -3.554 -4.816 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.642 -4.600 -3.904 1.00 0.00 H new ATOM 0 HG LEU A 94 4.945 -4.148 -2.934 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.216 -6.441 -2.083 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.513 -5.923 -2.084 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.106 -7.032 -3.343 1.00 0.00 H new ATOM 0 HD21 LEU A 94 6.784 -5.583 -3.758 1.00 0.00 H new ATOM 0 HD22 LEU A 94 5.750 -6.117 -5.105 1.00 0.00 H new ATOM 0 HD23 LEU A 94 6.250 -4.413 -4.989 1.00 0.00 H new ATOM 1481 N ILE A 95 1.555 -6.984 -5.117 1.00 0.00 N ATOM 1482 CA ILE A 95 0.970 -8.275 -4.763 1.00 0.00 C ATOM 1483 C ILE A 95 1.215 -9.305 -5.866 1.00 0.00 C ATOM 1484 O ILE A 95 1.606 -10.441 -5.595 1.00 0.00 O ATOM 1485 CB ILE A 95 -0.549 -8.150 -4.498 1.00 0.00 C ATOM 1486 CG1 ILE A 95 -0.800 -7.217 -3.312 1.00 0.00 C ATOM 1487 CG2 ILE A 95 -1.174 -9.519 -4.241 1.00 0.00 C ATOM 1488 CD1 ILE A 95 -2.267 -6.954 -3.041 1.00 0.00 C ATOM 0 H ILE A 95 0.888 -6.212 -5.137 1.00 0.00 H new ATOM 0 HA ILE A 95 1.457 -8.611 -3.847 1.00 0.00 H new ATOM 0 HB ILE A 95 -1.019 -7.727 -5.386 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -0.347 -7.649 -2.420 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.298 -6.267 -3.496 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -2.242 -9.403 -4.058 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -1.023 -10.157 -5.112 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -0.704 -9.976 -3.370 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -2.365 -6.285 -2.186 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -2.722 -6.492 -3.917 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -2.771 -7.896 -2.824 1.00 0.00 H new ATOM 1500 N VAL A 96 0.997 -8.895 -7.106 1.00 0.00 N ATOM 1501 CA VAL A 96 1.221 -9.771 -8.251 1.00 0.00 C ATOM 1502 C VAL A 96 2.717 -9.898 -8.531 1.00 0.00 C ATOM 1503 O VAL A 96 3.200 -10.956 -8.935 1.00 0.00 O ATOM 1504 CB VAL A 96 0.502 -9.245 -9.516 1.00 0.00 C ATOM 1505 CG1 VAL A 96 0.675 -10.207 -10.687 1.00 0.00 C ATOM 1506 CG2 VAL A 96 -0.974 -9.004 -9.231 1.00 0.00 C ATOM 0 H VAL A 96 0.665 -7.961 -7.348 1.00 0.00 H new ATOM 0 HA VAL A 96 0.809 -10.749 -8.004 1.00 0.00 H new ATOM 0 HB VAL A 96 0.960 -8.295 -9.793 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.159 -9.811 -11.562 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.736 -10.320 -10.911 1.00 0.00 H new ATOM 0 HG13 VAL A 96 0.254 -11.178 -10.426 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.463 -8.634 -10.132 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.442 -9.938 -8.921 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -1.075 -8.266 -8.435 1.00 0.00 H new ATOM 1516 N ASN A 97 3.435 -8.807 -8.292 1.00 0.00 N ATOM 1517 CA ASN A 97 4.878 -8.737 -8.514 1.00 0.00 C ATOM 1518 C ASN A 97 5.596 -9.839 -7.746 1.00 0.00 C ATOM 1519 O ASN A 97 6.347 -10.626 -8.321 1.00 0.00 O ATOM 1520 CB ASN A 97 5.394 -7.371 -8.053 1.00 0.00 C ATOM 1521 CG ASN A 97 6.655 -6.940 -8.765 1.00 0.00 C ATOM 1522 OD1 ASN A 97 7.763 -7.274 -8.358 1.00 0.00 O ATOM 1523 ND2 ASN A 97 6.489 -6.159 -9.817 1.00 0.00 N ATOM 0 H ASN A 97 3.032 -7.940 -7.937 1.00 0.00 H new ATOM 0 HA ASN A 97 5.077 -8.871 -9.577 1.00 0.00 H new ATOM 0 HB2 ASN A 97 4.618 -6.623 -8.216 1.00 0.00 H new ATOM 0 HB3 ASN A 97 5.584 -7.405 -6.980 1.00 0.00 H new ATOM 0 HD21 ASN A 97 7.301 -5.809 -10.325 1.00 0.00 H new ATOM 0 HD22 ASN A 97 5.549 -5.906 -10.121 1.00 0.00 H new ATOM 1530 N ALA A 98 5.331 -9.911 -6.446 1.00 0.00 N ATOM 1531 CA ALA A 98 5.989 -10.876 -5.569 1.00 0.00 C ATOM 1532 C ALA A 98 5.619 -12.313 -5.934 1.00 0.00 C ATOM 1533 O ALA A 98 6.374 -13.248 -5.666 1.00 0.00 O ATOM 1534 CB ALA A 98 5.638 -10.597 -4.117 1.00 0.00 C ATOM 0 H ALA A 98 4.659 -9.307 -5.972 1.00 0.00 H new ATOM 0 HA ALA A 98 7.065 -10.764 -5.704 1.00 0.00 H new ATOM 0 HB1 ALA A 98 6.136 -11.325 -3.476 1.00 0.00 H new ATOM 0 HB2 ALA A 98 5.967 -9.593 -3.850 1.00 0.00 H new ATOM 0 HB3 ALA A 98 4.559 -10.673 -3.982 1.00 0.00 H new ATOM 1540 N ALA A 99 4.457 -12.481 -6.549 1.00 0.00 N ATOM 1541 CA ALA A 99 3.987 -13.801 -6.947 1.00 0.00 C ATOM 1542 C ALA A 99 4.649 -14.245 -8.247 1.00 0.00 C ATOM 1543 O ALA A 99 4.754 -15.440 -8.528 1.00 0.00 O ATOM 1544 CB ALA A 99 2.472 -13.799 -7.097 1.00 0.00 C ATOM 0 H ALA A 99 3.821 -11.719 -6.784 1.00 0.00 H new ATOM 0 HA ALA A 99 4.261 -14.511 -6.167 1.00 0.00 H new ATOM 0 HB1 ALA A 99 2.135 -14.792 -7.395 1.00 0.00 H new ATOM 0 HB2 ALA A 99 2.013 -13.530 -6.146 1.00 0.00 H new ATOM 0 HB3 ALA A 99 2.183 -13.074 -7.858 1.00 0.00 H new ATOM 1550 N LYS A 100 5.094 -13.277 -9.038 1.00 0.00 N ATOM 1551 CA LYS A 100 5.710 -13.559 -10.318 1.00 0.00 C ATOM 1552 C LYS A 100 7.207 -13.805 -10.167 1.00 0.00 C ATOM 1553 O LYS A 100 7.812 -14.524 -10.964 1.00 0.00 O ATOM 1554 CB LYS A 100 5.469 -12.385 -11.266 1.00 0.00 C ATOM 1555 CG LYS A 100 5.584 -12.755 -12.730 1.00 0.00 C ATOM 1556 CD LYS A 100 4.454 -13.676 -13.148 1.00 0.00 C ATOM 1557 CE LYS A 100 3.107 -12.967 -13.110 1.00 0.00 C ATOM 1558 NZ LYS A 100 2.003 -13.853 -13.565 1.00 0.00 N ATOM 0 H LYS A 100 5.037 -12.285 -8.809 1.00 0.00 H new ATOM 0 HA LYS A 100 5.260 -14.464 -10.727 1.00 0.00 H new ATOM 0 HB2 LYS A 100 4.476 -11.977 -11.080 1.00 0.00 H new ATOM 0 HB3 LYS A 100 6.186 -11.595 -11.042 1.00 0.00 H new ATOM 0 HG2 LYS A 100 5.566 -11.852 -13.340 1.00 0.00 H new ATOM 0 HG3 LYS A 100 6.542 -13.243 -12.911 1.00 0.00 H new ATOM 0 HD2 LYS A 100 4.641 -14.048 -14.155 1.00 0.00 H new ATOM 0 HD3 LYS A 100 4.428 -14.543 -12.488 1.00 0.00 H new ATOM 0 HE2 LYS A 100 2.904 -12.626 -12.095 1.00 0.00 H new ATOM 0 HE3 LYS A 100 3.145 -12.080 -13.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 1.103 -13.334 -13.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 2.183 -14.158 -14.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 1.950 -14.687 -12.946 1.00 0.00 H new ATOM 1572 N LEU A 101 7.782 -13.237 -9.124 1.00 0.00 N ATOM 1573 CA LEU A 101 9.216 -13.265 -8.915 1.00 0.00 C ATOM 1574 C LEU A 101 9.658 -14.514 -8.171 1.00 0.00 C ATOM 1575 O LEU A 101 8.875 -15.143 -7.457 1.00 0.00 O ATOM 1576 CB LEU A 101 9.638 -12.042 -8.111 1.00 0.00 C ATOM 1577 CG LEU A 101 9.383 -10.692 -8.771 1.00 0.00 C ATOM 1578 CD1 LEU A 101 9.750 -9.575 -7.812 1.00 0.00 C ATOM 1579 CD2 LEU A 101 10.175 -10.566 -10.064 1.00 0.00 C ATOM 0 H LEU A 101 7.266 -12.742 -8.396 1.00 0.00 H new ATOM 0 HA LEU A 101 9.690 -13.265 -9.897 1.00 0.00 H new ATOM 0 HB2 LEU A 101 9.115 -12.062 -7.155 1.00 0.00 H new ATOM 0 HB3 LEU A 101 10.703 -12.123 -7.894 1.00 0.00 H new ATOM 0 HG LEU A 101 8.324 -10.616 -9.016 1.00 0.00 H new ATOM 0 HD11 LEU A 101 9.566 -8.612 -8.288 1.00 0.00 H new ATOM 0 HD12 LEU A 101 9.143 -9.656 -6.910 1.00 0.00 H new ATOM 0 HD13 LEU A 101 10.805 -9.654 -7.548 1.00 0.00 H new ATOM 0 HD21 LEU A 101 9.978 -9.595 -10.518 1.00 0.00 H new ATOM 0 HD22 LEU A 101 11.240 -10.657 -9.849 1.00 0.00 H new ATOM 0 HD23 LEU A 101 9.876 -11.356 -10.753 1.00 0.00 H new ATOM 1591 N GLU A 102 10.922 -14.864 -8.354 1.00 0.00 N ATOM 1592 CA GLU A 102 11.559 -15.903 -7.565 1.00 0.00 C ATOM 1593 C GLU A 102 12.585 -15.262 -6.632 1.00 0.00 C ATOM 1594 O GLU A 102 12.674 -15.600 -5.454 1.00 0.00 O ATOM 1595 CB GLU A 102 12.228 -16.957 -8.463 1.00 0.00 C ATOM 1596 CG GLU A 102 13.345 -16.407 -9.338 1.00 0.00 C ATOM 1597 CD GLU A 102 14.014 -17.471 -10.178 1.00 0.00 C ATOM 1598 OE1 GLU A 102 14.870 -18.209 -9.641 1.00 0.00 O ATOM 1599 OE2 GLU A 102 13.704 -17.564 -11.383 1.00 0.00 O ATOM 0 H GLU A 102 11.532 -14.437 -9.051 1.00 0.00 H new ATOM 0 HA GLU A 102 10.798 -16.415 -6.976 1.00 0.00 H new ATOM 0 HB2 GLU A 102 12.631 -17.752 -7.835 1.00 0.00 H new ATOM 0 HB3 GLU A 102 11.469 -17.409 -9.102 1.00 0.00 H new ATOM 0 HG2 GLU A 102 12.940 -15.636 -9.993 1.00 0.00 H new ATOM 0 HG3 GLU A 102 14.092 -15.928 -8.706 1.00 0.00 H new ATOM 1606 N HIS A 103 13.349 -14.314 -7.178 1.00 0.00 N ATOM 1607 CA HIS A 103 14.352 -13.576 -6.417 1.00 0.00 C ATOM 1608 C HIS A 103 14.469 -12.160 -6.958 1.00 0.00 C ATOM 1609 O HIS A 103 14.650 -11.967 -8.160 1.00 0.00 O ATOM 1610 CB HIS A 103 15.728 -14.257 -6.486 1.00 0.00 C ATOM 1611 CG HIS A 103 15.806 -15.566 -5.757 1.00 0.00 C ATOM 1612 ND1 HIS A 103 16.168 -16.745 -6.370 1.00 0.00 N ATOM 1613 CD2 HIS A 103 15.579 -15.874 -4.457 1.00 0.00 C ATOM 1614 CE1 HIS A 103 16.157 -17.723 -5.481 1.00 0.00 C ATOM 1615 NE2 HIS A 103 15.803 -17.220 -4.311 1.00 0.00 N ATOM 0 H HIS A 103 13.288 -14.039 -8.158 1.00 0.00 H new ATOM 0 HA HIS A 103 14.030 -13.556 -5.376 1.00 0.00 H new ATOM 0 HB2 HIS A 103 15.987 -14.421 -7.532 1.00 0.00 H new ATOM 0 HB3 HIS A 103 16.477 -13.580 -6.074 1.00 0.00 H new ATOM 0 HD2 HIS A 103 15.278 -15.187 -3.680 1.00 0.00 H new ATOM 0 HE1 HIS A 103 16.397 -18.758 -5.677 1.00 0.00 H new ATOM 0 HE2 HIS A 103 15.711 -17.746 -3.442 1.00 0.00 H new ATOM 1624 N HIS A 104 14.355 -11.178 -6.077 1.00 0.00 N ATOM 1625 CA HIS A 104 14.471 -9.773 -6.455 1.00 0.00 C ATOM 1626 C HIS A 104 14.628 -8.917 -5.210 1.00 0.00 C ATOM 1627 O HIS A 104 13.828 -9.021 -4.283 1.00 0.00 O ATOM 1628 CB HIS A 104 13.245 -9.310 -7.254 1.00 0.00 C ATOM 1629 CG HIS A 104 13.565 -8.877 -8.655 1.00 0.00 C ATOM 1630 ND1 HIS A 104 12.714 -8.107 -9.422 1.00 0.00 N ATOM 1631 CD2 HIS A 104 14.644 -9.125 -9.434 1.00 0.00 C ATOM 1632 CE1 HIS A 104 13.255 -7.908 -10.609 1.00 0.00 C ATOM 1633 NE2 HIS A 104 14.424 -8.516 -10.639 1.00 0.00 N ATOM 0 H HIS A 104 14.180 -11.329 -5.083 1.00 0.00 H new ATOM 0 HA HIS A 104 15.351 -9.662 -7.089 1.00 0.00 H new ATOM 0 HB2 HIS A 104 12.519 -10.122 -7.291 1.00 0.00 H new ATOM 0 HB3 HIS A 104 12.771 -8.482 -6.727 1.00 0.00 H new ATOM 0 HD2 HIS A 104 15.517 -9.697 -9.156 1.00 0.00 H new ATOM 0 HE1 HIS A 104 12.815 -7.343 -11.418 1.00 0.00 H new ATOM 0 HE2 HIS A 104 15.063 -8.530 -11.434 1.00 0.00 H new ATOM 1642 N HIS A 105 15.663 -8.088 -5.188 1.00 0.00 N ATOM 1643 CA HIS A 105 15.925 -7.225 -4.042 1.00 0.00 C ATOM 1644 C HIS A 105 14.957 -6.053 -4.004 1.00 0.00 C ATOM 1645 O HIS A 105 14.503 -5.654 -2.927 1.00 0.00 O ATOM 1646 CB HIS A 105 17.367 -6.713 -4.068 1.00 0.00 C ATOM 1647 CG HIS A 105 18.375 -7.758 -3.707 1.00 0.00 C ATOM 1648 ND1 HIS A 105 19.109 -8.455 -4.641 1.00 0.00 N ATOM 1649 CD2 HIS A 105 18.774 -8.219 -2.499 1.00 0.00 C ATOM 1650 CE1 HIS A 105 19.915 -9.299 -4.026 1.00 0.00 C ATOM 1651 NE2 HIS A 105 19.734 -9.175 -2.726 1.00 0.00 N ATOM 0 H HIS A 105 16.335 -7.994 -5.950 1.00 0.00 H new ATOM 0 HA HIS A 105 15.779 -7.820 -3.141 1.00 0.00 H new ATOM 0 HB2 HIS A 105 17.591 -6.331 -5.064 1.00 0.00 H new ATOM 0 HB3 HIS A 105 17.460 -5.875 -3.377 1.00 0.00 H new ATOM 0 HD2 HIS A 105 18.406 -7.896 -1.536 1.00 0.00 H new ATOM 0 HE1 HIS A 105 20.606 -9.976 -4.506 1.00 0.00 H new ATOM 0 HE2 HIS A 105 20.227 -9.703 -2.006 1.00 0.00 H new ATOM 1660 N HIS A 106 14.659 -5.496 -5.185 1.00 0.00 N ATOM 1661 CA HIS A 106 13.675 -4.419 -5.309 1.00 0.00 C ATOM 1662 C HIS A 106 14.058 -3.255 -4.387 1.00 0.00 C ATOM 1663 O HIS A 106 13.208 -2.578 -3.808 1.00 0.00 O ATOM 1664 CB HIS A 106 12.285 -4.983 -4.969 1.00 0.00 C ATOM 1665 CG HIS A 106 11.133 -4.071 -5.268 1.00 0.00 C ATOM 1666 ND1 HIS A 106 10.118 -3.848 -4.372 1.00 0.00 N ATOM 1667 CD2 HIS A 106 10.816 -3.367 -6.377 1.00 0.00 C ATOM 1668 CE1 HIS A 106 9.222 -3.046 -4.911 1.00 0.00 C ATOM 1669 NE2 HIS A 106 9.618 -2.735 -6.133 1.00 0.00 N ATOM 0 H HIS A 106 15.087 -5.776 -6.068 1.00 0.00 H new ATOM 0 HA HIS A 106 13.655 -4.033 -6.328 1.00 0.00 H new ATOM 0 HB2 HIS A 106 12.144 -5.913 -5.520 1.00 0.00 H new ATOM 0 HB3 HIS A 106 12.262 -5.234 -3.909 1.00 0.00 H new ATOM 0 HD1 HIS A 106 10.065 -4.242 -3.433 1.00 0.00 H new ATOM 0 HD2 HIS A 106 11.396 -3.311 -7.287 1.00 0.00 H new ATOM 0 HE1 HIS A 106 8.316 -2.701 -4.434 1.00 0.00 H new ATOM 1678 N HIS A 107 15.359 -3.008 -4.296 1.00 0.00 N ATOM 1679 CA HIS A 107 15.907 -2.081 -3.318 1.00 0.00 C ATOM 1680 C HIS A 107 16.028 -0.675 -3.887 1.00 0.00 C ATOM 1681 O HIS A 107 16.481 -0.485 -5.014 1.00 0.00 O ATOM 1682 CB HIS A 107 17.287 -2.568 -2.858 1.00 0.00 C ATOM 1683 CG HIS A 107 17.881 -1.759 -1.742 1.00 0.00 C ATOM 1684 ND1 HIS A 107 18.617 -0.608 -1.945 1.00 0.00 N ATOM 1685 CD2 HIS A 107 17.839 -1.943 -0.403 1.00 0.00 C ATOM 1686 CE1 HIS A 107 18.999 -0.124 -0.777 1.00 0.00 C ATOM 1687 NE2 HIS A 107 18.540 -0.914 0.171 1.00 0.00 N ATOM 0 H HIS A 107 16.060 -3.443 -4.896 1.00 0.00 H new ATOM 0 HA HIS A 107 15.223 -2.046 -2.470 1.00 0.00 H new ATOM 0 HB2 HIS A 107 17.206 -3.606 -2.536 1.00 0.00 H new ATOM 0 HB3 HIS A 107 17.969 -2.550 -3.708 1.00 0.00 H new ATOM 0 HD2 HIS A 107 17.345 -2.750 0.117 1.00 0.00 H new ATOM 0 HE1 HIS A 107 19.588 0.768 -0.625 1.00 0.00 H new ATOM 0 HE2 HIS A 107 18.683 -0.782 1.172 1.00 0.00 H new ATOM 1696 N HIS A 108 15.620 0.305 -3.095 1.00 0.00 N ATOM 1697 CA HIS A 108 15.835 1.701 -3.435 1.00 0.00 C ATOM 1698 C HIS A 108 16.708 2.347 -2.371 1.00 0.00 C ATOM 1699 O HIS A 108 16.164 2.765 -1.329 1.00 0.00 O ATOM 1700 CB HIS A 108 14.506 2.453 -3.570 1.00 0.00 C ATOM 1701 CG HIS A 108 14.672 3.915 -3.883 1.00 0.00 C ATOM 1702 ND1 HIS A 108 15.102 4.383 -5.105 1.00 0.00 N ATOM 1703 CD2 HIS A 108 14.475 5.011 -3.112 1.00 0.00 C ATOM 1704 CE1 HIS A 108 15.162 5.702 -5.072 1.00 0.00 C ATOM 1705 NE2 HIS A 108 14.785 6.105 -3.876 1.00 0.00 N ATOM 1706 OXT HIS A 108 17.939 2.404 -2.569 1.00 0.00 O ATOM 0 H HIS A 108 15.136 0.157 -2.209 1.00 0.00 H new ATOM 0 HA HIS A 108 16.338 1.753 -4.401 1.00 0.00 H new ATOM 0 HB2 HIS A 108 13.912 1.987 -4.356 1.00 0.00 H new ATOM 0 HB3 HIS A 108 13.944 2.350 -2.642 1.00 0.00 H new ATOM 0 HD2 HIS A 108 14.137 5.021 -2.086 1.00 0.00 H new ATOM 0 HE1 HIS A 108 15.468 6.341 -5.887 1.00 0.00 H new ATOM 0 HE2 HIS A 108 14.732 7.076 -3.568 1.00 0.00 H new TER 1715 HIS A 108